PubChemLite - 73200-69-8 (C33H36N2O4)

Structural Information

Molecular Formula

SMILES

CN(C)CCCC1=CC=C(C=C1)C2=CN3C=CC4=CC(=C(C=C4C3=C2C5=CC(=C(C=C5)OC)OC)OC)OC

InChI

InChI=1S/C33H36N2O4/c1-34(2)16-7-8-22-9-11-23(12-10-22)27-21-35-17-15-24-18-30(38-5)31(39-6)20-26(24)33(35)32(27)25-13-14-28(36-3)29(19-25)37-4/h9-15,17-21H,7-8,16H2,1-6H3

InChIKey

FYPJIAANPCRBMZ-UHFFFAOYSA-N

Compound name

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

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]+	525.27478	236.6
[M+Na]+	547.25672	244.2
[M-H]-	523.26022	248.4
[M+NH4]+	542.30132	245.1
[M+K]+	563.23066	239.2
[M+H-H2O]+	507.26476	224.0
[M+HCOO]-	569.26570	257.0
[M+CH3COO]-	583.28135	256.9
[M+Na-2H]-	545.24217	234.6
[M]+	524.26695	247.8
[M]-	524.26805	247.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.27478

236.6

[M+Na]+

547.25672

244.2

[M-H]-

523.26022

248.4

[M+NH4]+

542.30132

245.1

[M+K]+

563.23066

239.2

[M+H-H2O]+

507.26476

224.0

[M+HCOO]-

569.26570

257.0

[M+CH3COO]-

583.28135

256.9

[M+Na-2H]-

545.24217

234.6

[M]+

524.26695

247.8

[M]-

524.26805

247.8

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

73200-69-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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