CID 212244

Brn 1576119

Structural Information

Molecular Formula
C14H12N2O
SMILES
CN1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C14H12N2O/c1-15-12-9-5-6-10-13(12)16(14(15)17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
VMKCXIJBSNPXCB-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

224.09496 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.4
[M+Na]+ 247.08418 159.6
[M-H]- 223.08768 153.7
[M+NH4]+ 242.12878 166.3
[M+K]+ 263.05812 154.4
[M+H-H2O]+ 207.09222 139.3
[M+HCOO]- 269.09316 171.6
[M+CH3COO]- 283.10881 161.6
[M+Na-2H]- 245.06963 154.5
[M]+ 224.09441 150.4
[M]- 224.09551 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe