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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 151.0
[M+Na]+ 263.07909 162.5
[M-H]- 239.08259 155.9
[M+NH4]+ 258.12369 168.3
[M+K]+ 279.05303 157.1
[M+H-H2O]+ 223.08713 142.9
[M+HCOO]- 285.08807 173.8
[M+CH3COO]- 299.10372 164.3
[M+Na-2H]- 261.06454 157.7
[M]+ 240.08932 153.5
[M]- 240.09042 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.