CID 675108

300826-56-6

Structural Information

Molecular Formula
C22H19N3O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3)C
InChI
InChI=1S/C22H19N3O/c1-14-11-12-16(13-15(14)2)23-22(26)18-8-4-3-7-17(18)21-24-19-9-5-6-10-20(19)25-21/h3-13H,1-2H3,(H,23,26)(H,24,25)
InChIKey
ZOQYTSLAFAXVOG-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1528 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.160076 182.3
[M+Na]+ 364.142018 191.2
[M-H]- 340.145524 190.0
[M+NH4]+ 359.186623 194.7
[M+K]+ 380.115958 183.4
[M+H-H2O]+ 324.150060 172.3
[M+HCOO]- 386.151001 203.4
[M+CH3COO]- 400.166651 192.8
[M+Na-2H]- 362.127466 185.8
[M]+ 341.15225142 182.6
[M]- 341.15334858 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.