CID 3761604

36855-68-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.082576	157.3
[M+Na]+	305.064518	164.4
[M-H]-	281.068024	162.0
[M+NH4]+	300.109123	170.9
[M+K]+	321.038458	155.5
[M+H-H2O]+	265.072560	153.0
[M+HCOO]-	327.073501	180.9
[M+CH3COO]-	341.089151	191.9
[M+Na-2H]-	303.049966	166.6
[M]+	282.07475142	155.2
[M]-	282.07584858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe