PubChemLite - Pyrrolo(2,1-a)isoquinoline, 2-(p-(diethylaminoethyl)phenyl)-8,9-dimethoxy-1-(3,4-dimethoxyphenyl)- (C34H38N2O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCC1=CC=C(C=C1)C2=CN3C=CC4=CC(=C(C=C4C3=C2C5=CC(=C(C=C5)OC)OC)OC)OC

InChI

InChI=1S/C34H38N2O4/c1-7-35(8-2)17-15-23-9-11-24(12-10-23)28-22-36-18-16-25-19-31(39-5)32(40-6)21-27(25)34(36)33(28)26-13-14-29(37-3)30(20-26)38-4/h9-14,16,18-22H,7-8,15,17H2,1-6H3

InChIKey

KSILPRBRLPQJNF-UHFFFAOYSA-N

Compound name

2-[4-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-2-yl]phenyl]-N,N-diethylethanamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	539.29042	241.1
[M+Na]+	561.27236	248.2
[M-H]-	537.27586	252.7
[M+NH4]+	556.31696	248.9
[M+K]+	577.24630	243.0
[M+H-H2O]+	521.28040	228.2
[M+HCOO]-	583.28134	261.1
[M+CH3COO]-	597.29699	259.6
[M+Na-2H]-	559.25781	238.6
[M]+	538.28259	252.5
[M]-	538.28369	252.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.29042

241.1

[M+Na]+

561.27236

248.2

[M-H]-

537.27586

252.7

[M+NH4]+

556.31696

248.9

[M+K]+

577.24630

243.0

[M+H-H2O]+

521.28040

228.2

[M+HCOO]-

583.28134

261.1

[M+CH3COO]-

597.29699

259.6

[M+Na-2H]-

559.25781

238.6

[M]+

538.28259

252.5

[M]-

538.28369

252.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pyrrolo(2,1-a)isoquinoline, 2-(p-(diethylaminoethyl)phenyl)-8,9-dimethoxy-1-(3,4-dimethoxyphenyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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