CID 135423682

42389-40-2

Structural Information

Molecular Formula
C12H11N5O
SMILES
CC1=CC(=O)NC(=N1)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H11N5O/c1-7-6-10(18)16-11(13-7)17-12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H3,13,14,15,16,17,18)
InChIKey
IPWAAMAWIAQLHF-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.09636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10364 152.0
[M+Na]+ 264.08558 166.6
[M+NH4]+ 259.13018 158.6
[M+K]+ 280.05952 162.1
[M-H]- 240.08908 153.9
[M+Na-2H]- 262.07103 160.0
[M]+ 241.09581 154.4
[M]- 241.09691 154.4
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

No patent data available for this compound.