CID 5387470

Nsc623907

Structural Information

Molecular Formula
C24H21N3O3
SMILES
COC1=C(C=C(C=C1)/C=C(/C2=NC3=CC=CC=C3N2)\NC(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C24H21N3O3/c1-29-21-13-12-16(15-22(21)30-2)14-20(27-24(28)17-8-4-3-5-9-17)23-25-18-10-6-7-11-19(18)26-23/h3-15H,1-2H3,(H,25,26)(H,27,28)/b20-14-
InChIKey
NLKKHCJNRCVFBB-ZHZULCJRSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

399.1583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 195.6
[M+Na]+ 422.14752 202.1
[M-H]- 398.15102 202.7
[M+NH4]+ 417.19212 204.9
[M+K]+ 438.12146 195.5
[M+H-H2O]+ 382.15556 184.8
[M+HCOO]- 444.15650 215.4
[M+CH3COO]- 458.17215 204.4
[M+Na-2H]- 420.13297 198.0
[M]+ 399.15775 197.4
[M]- 399.15885 197.4
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.