CID 209488

Brn 0659447

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

COC1=CC2=C(C=C1)NC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C14H12N2O2/c1-18-11-7-8-12-13(9-11)16(14(17)15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)

InChIKey

UGTXEXCLARKJHG-UHFFFAOYSA-N

Compound name

5-methoxy-3-phenyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.08987 Da
Monoisotopic Mass: 2.3
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]+	241.097146	151.0
[M+Na]+	263.079088	162.5
[M-H]-	239.082594	155.9
[M+NH4]+	258.123693	168.3
[M+K]+	279.053028	157.1
[M+H-H2O]+	223.087130	142.9
[M+HCOO]-	285.088071	173.8
[M+CH3COO]-	299.103721	164.3
[M+Na-2H]-	261.064536	157.7
[M]+	240.08932142	153.5
[M]-	240.09041858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.