CID 700670

314769-80-7

Structural Information

Molecular Formula

C₂₀H₁₄ClN₃O

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O/c21-15-9-5-14(6-10-15)20(25)22-16-11-7-13(8-12-16)19-23-17-3-1-2-4-18(17)24-19/h1-12H,(H,22,25)(H,23,24)

InChIKey

LBIXPEXYKNRPRK-UHFFFAOYSA-N

Compound name

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4
Patents: 347.08255 Da
Monoisotopic Mass: 4.7
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]+	348.08983	179.6
[M+Na]+	370.07177	189.3
[M-H]-	346.07527	186.9
[M+NH4]+	365.11637	192.3
[M+K]+	386.04571	180.5
[M+H-H2O]+	330.07981	169.9
[M+HCOO]-	392.08075	196.7
[M+CH3COO]-	406.09640	190.1
[M+Na-2H]-	368.05722	184.3
[M]+	347.08200	181.2
[M]-	347.08310	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe