CID 3011123

476633-90-6

Structural Information

Molecular Formula
C21H17N3O
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C21H17N3O/c1-14-6-8-16(9-7-14)21(25)22-17-12-10-15(11-13-17)20-23-18-4-2-3-5-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKey
RUADQKYAUGJNLH-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.13718 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 177.0
[M+Na]+ 350.12640 185.5
[M-H]- 326.12990 184.5
[M+NH4]+ 345.17100 189.7
[M+K]+ 366.10034 177.8
[M+H-H2O]+ 310.13444 166.9
[M+HCOO]- 372.13538 198.4
[M+CH3COO]- 386.15103 187.6
[M+Na-2H]- 348.11185 181.8
[M]+ 327.13663 176.5
[M]- 327.13773 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.