CID 854379

21472-33-3

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C14H10N2O2/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h1-8H,(H2,15,16,18)

InChIKey

HUBCTWDCEBWLBF-UHFFFAOYSA-N

Compound name

5-benzoyl-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 238.07423 Da
Monoisotopic Mass: 1.9
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]+	239.081506	150.3
[M+Na]+	261.063448	160.4
[M-H]-	237.066954	153.7
[M+NH4]+	256.108053	166.6
[M+K]+	277.037388	154.1
[M+H-H2O]+	221.071490	142.6
[M+HCOO]-	283.072431	170.9
[M+CH3COO]-	297.088081	162.6
[M+Na-2H]-	259.048896	156.3
[M]+	238.07368142	149.4
[M]-	238.07477858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe