CID 58842262

1-(pyrimidin-5-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC=C2C(=C1)NC(=O)N2C3=CN=CN=C3
InChI
InChI=1S/C11H8N4O/c16-11-14-9-3-1-2-4-10(9)15(11)8-5-12-7-13-6-8/h1-7H,(H,14,16)
InChIKey
WUYKOXLQPFNHTE-UHFFFAOYSA-N
Compound name
3-pyrimidin-5-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.06981 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07709 143.6
[M+Na]+ 235.05903 159.8
[M+NH4]+ 230.10363 151.2
[M+K]+ 251.03297 154.6
[M-H]- 211.06253 145.6
[M+Na-2H]- 233.04448 153.0
[M]+ 212.06926 146.5
[M]- 212.07036 146.5
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

patents stripe