PubChemLite - 73826-63-8 (C34H34N2O2)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=O)C(C2C3=CC=CC=C3CCN2)C(C4C5=CC=CC=C5CCN4)C6=CC=CC=C6

InChI

InChI=1S/C34H34N2O2/c1-38-27-17-15-26(16-18-27)34(37)31(33-29-14-8-6-10-24(29)20-22-36-33)30(25-11-3-2-4-12-25)32-28-13-7-5-9-23(28)19-21-35-32/h2-18,30-33,35-36H,19-22H2,1H3

InChIKey

HPRXSBSJIAMOJZ-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-phenyl-2,3-bis(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one

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]+	503.26930	221.6
[M+Na]+	525.25124	220.2
[M-H]-	501.25474	226.8
[M+NH4]+	520.29584	223.0
[M+K]+	541.22518	211.3
[M+H-H2O]+	485.25928	207.1
[M+HCOO]-	547.26022	226.1
[M+CH3COO]-	561.27587	223.7
[M+Na-2H]-	523.23669	219.7
[M]+	502.26147	211.6
[M]-	502.26257	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.26930

221.6

[M+Na]+

525.25124

220.2

[M-H]-

501.25474

226.8

[M+NH4]+

520.29584

223.0

[M+K]+

541.22518

211.3

[M+H-H2O]+

485.25928

207.1

[M+HCOO]-

547.26022

226.1

[M+CH3COO]-

561.27587

223.7

[M+Na-2H]-

523.23669

219.7

[M]+

502.26147

211.6

[M]-

502.26257

211.6

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

73826-63-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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