CID 5388016

Nsc630885

Structural Information

Molecular Formula
C22H16N4O3
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H16N4O3/c27-22(16-6-2-1-3-7-16)25-20(14-15-10-12-17(13-11-15)26(28)29)21-23-18-8-4-5-9-19(18)24-21/h1-14H,(H,23,24)(H,25,27)/b20-14-
InChIKey
RUMHRQWAARUWMQ-ZHZULCJRSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.12225 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12953 186.7
[M+Na]+ 407.11147 190.7
[M-H]- 383.11497 193.5
[M+NH4]+ 402.15607 195.0
[M+K]+ 423.08541 179.9
[M+H-H2O]+ 367.11951 180.2
[M+HCOO]- 429.12045 207.6
[M+CH3COO]- 443.13610 211.4
[M+Na-2H]- 405.09692 193.0
[M]+ 384.12170 183.0
[M]- 384.12280 183.0
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.