CID 380610

Nsc666285

Structural Information

Molecular Formula
C13H13N5O2
SMILES
CCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O
InChI
InChI=1S/C13H13N5O2/c1-2-7-10(19)16-13(17-11(7)20)18-12-14-8-5-3-4-6-9(8)15-12/h3-6H,2H2,1H3,(H4,14,15,16,17,18,19,20)
InChIKey
FOBTZKHFTADWOY-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.10693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11421 160.6
[M+Na]+ 294.09615 171.6
[M-H]- 270.09965 160.7
[M+NH4]+ 289.14075 172.4
[M+K]+ 310.07009 164.2
[M+H-H2O]+ 254.10419 151.7
[M+HCOO]- 316.10513 179.0
[M+CH3COO]- 330.12078 171.2
[M+Na-2H]- 292.08160 166.8
[M]+ 271.10638 160.0
[M]- 271.10748 160.0
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.