77130-24-6 (C30H30N4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC(=CC(=C4)C)C)C

InChI

InChI=1S/C30H30N4O2/c1-19-13-20(2)16-25(15-19)29(35)33-27(23-5-9-31-10-6-23)28(24-7-11-32-12-8-24)34-30(36)26-17-21(3)14-22(4)18-26/h5-18,27-28H,1-4H3,(H,33,35)(H,34,36)

InChIKey

CVEGYFDKGDLPCY-UHFFFAOYSA-N

Compound name

N-[2-[(3,5-dimethylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]-3,5-dimethylbenzamide

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]+	479.244156	220.0
[M+Na]+	501.226098	222.7
[M-H]-	477.229604	229.3
[M+NH4]+	496.270703	222.9
[M+K]+	517.200038	216.5
[M+H-H2O]+	461.234140	206.6
[M+HCOO]-	523.235081	237.1
[M+CH3COO]-	537.250731	246.1
[M+Na-2H]-	499.211546	218.8
[M]+	478.23633142	219.0
[M]-	478.23742858	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.244156

220.0

[M+Na]+

501.226098

222.7

[M-H]-

477.229604

229.3

[M+NH4]+

496.270703

222.9

[M+K]+

517.200038

216.5

[M+H-H2O]+

461.234140

206.6

[M+HCOO]-

523.235081

237.1

[M+CH3COO]-

537.250731

246.1

[M+Na-2H]-

499.211546

218.8

[M]+

478.23633142

219.0

[M]-

478.23742858

219.0

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

77130-24-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe