CID 3069786

Brn 5642531

Structural Information

Molecular Formula
C24H24N4O
SMILES
CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2CCC(=O)NC4=CC=C(C=C4)C
InChI
InChI=1S/C24H24N4O/c1-17-7-11-19(12-8-17)25-23(29)15-16-28-22-6-4-3-5-21(22)27-24(28)26-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,29)(H,26,27)
InChIKey
VXJDRLIUVOHBAC-UHFFFAOYSA-N
Compound name
3-[2-(4-methylanilino)benzimidazol-1-yl]-N-(4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.195 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20228 194.0
[M+Na]+ 407.18422 201.4
[M-H]- 383.18772 202.5
[M+NH4]+ 402.22882 204.8
[M+K]+ 423.15816 194.1
[M+H-H2O]+ 367.19226 182.8
[M+HCOO]- 429.19320 216.8
[M+CH3COO]- 443.20885 203.6
[M+Na-2H]- 405.16967 197.6
[M]+ 384.19445 196.0
[M]- 384.19555 196.0
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.