PubChemLite - 69766-63-8 (C32H34N2O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H34N2O4/c1-33(2)15-13-21-7-9-22(10-8-21)26-20-34-16-14-23-17-29(37-5)30(38-6)19-25(23)32(34)31(26)24-11-12-27(35-3)28(18-24)36-4/h7-12,14,16-20H,13,15H2,1-6H3

InChIKey

FUEXUTJXNTXVFL-UHFFFAOYSA-N

Compound name

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

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]+	511.25914	232.1
[M+Na]+	533.24108	240.2
[M-H]-	509.24458	244.2
[M+NH4]+	528.28568	241.2
[M+K]+	549.21502	235.4
[M+H-H2O]+	493.24912	219.7
[M+HCOO]-	555.25006	252.9
[M+CH3COO]-	569.26571	254.1
[M+Na-2H]-	531.22653	230.7
[M]+	510.25131	243.1
[M]-	510.25241	243.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.25914

232.1

[M+Na]+

533.24108

240.2

[M-H]-

509.24458

244.2

[M+NH4]+

528.28568

241.2

[M+K]+

549.21502

235.4

[M+H-H2O]+

493.24912

219.7

[M+HCOO]-

555.25006

252.9

[M+CH3COO]-

569.26571

254.1

[M+Na-2H]-

531.22653

230.7

[M]+

510.25131

243.1

[M]-

510.25241

243.1

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

69766-63-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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