PubChemLite - 155877-83-1 (C29H30N2O2)

Structural Information

Molecular Formula

SMILES

CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C

InChI

InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)

InChIKey

YZZAIQOVMHVWBS-UHFFFAOYSA-N

Compound name

4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid

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]+	439.23802	208.2
[M+Na]+	461.21996	222.7
[M+NH4]+	456.26456	218.0
[M+K]+	477.19390	211.3
[M-H]-	437.22346	213.0
[M+Na-2H]-	459.20541	215.7
[M]+	438.23019	212.3
[M]-	438.23129	212.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.23802

208.2

[M+Na]+

461.21996

222.7

[M+NH4]+

456.26456

218.0

[M+K]+

477.19390

211.3

[M-H]-

437.22346

213.0

[M+Na-2H]-

459.20541

215.7

[M]+

438.23019

212.3

[M]-

438.23129

212.3

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

155877-83-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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