CID 3061756

Brn 5566808

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CN1C2=C(C=C(C=C2)OC)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O2/c1-16-13-9-8-12(19-2)10-14(13)17(15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
MMDCLEZHHLTKEI-UHFFFAOYSA-N
Compound name
5-methoxy-1-methyl-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.112806 155.4
[M+Na]+ 277.094748 167.8
[M-H]- 253.098254 162.0
[M+NH4]+ 272.139353 173.2
[M+K]+ 293.068688 163.1
[M+H-H2O]+ 237.102790 147.1
[M+HCOO]- 299.103731 179.4
[M+CH3COO]- 313.119381 169.4
[M+Na-2H]- 275.080196 161.3
[M]+ 254.10498142 160.6
[M]- 254.10607858 160.6
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.