CID 3761604

N-1h-benzimidazol-2-yl-4-nitrobenzamide

Structural Information

Molecular Formula
C14H10N4O3
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O3/c19-13(9-5-7-10(8-6-9)18(20)21)17-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H2,15,16,17,19)
InChIKey
ATJLQYUJQCDLFC-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

282.0753 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08258 157.3
[M+Na]+ 305.06452 164.4
[M-H]- 281.06802 162.0
[M+NH4]+ 300.10912 170.9
[M+K]+ 321.03846 155.5
[M+H-H2O]+ 265.07256 153.0
[M+HCOO]- 327.07350 180.9
[M+CH3COO]- 341.08915 191.9
[M+Na-2H]- 303.04997 166.6
[M]+ 282.07475 155.2
[M]- 282.07585 155.2
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

patents stripe