CID 5387521

Nsc624424

Structural Information

Molecular Formula
C22H15ClN4O3
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C22H15ClN4O3/c23-16-8-11-18-19(13-16)25-21(24-18)20(26-22(28)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)27(29)30/h1-13H,(H,24,25)(H,26,28)/b20-12-
InChIKey
BAIPJRVPJMGIOF-NDENLUEZSA-N
Compound name
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.08328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09056 195.5
[M+Na]+ 441.07250 200.9
[M-H]- 417.07600 202.2
[M+NH4]+ 436.11710 203.6
[M+K]+ 457.04644 188.9
[M+H-H2O]+ 401.08054 189.7
[M+HCOO]- 463.08148 211.7
[M+CH3COO]- 477.09713 216.0
[M+Na-2H]- 439.05795 200.3
[M]+ 418.08273 194.8
[M]- 418.08383 194.8
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.