CID 380611

Nsc666286

Structural Information

Molecular Formula
C17H13N5O2
SMILES
C1=CC=C(C=C1)C2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O
InChI
InChI=1S/C17H13N5O2/c23-14-13(10-6-2-1-3-7-10)15(24)21-17(20-14)22-16-18-11-8-4-5-9-12(11)19-16/h1-9H,(H4,18,19,20,21,22,23,24)
InChIKey
MPKAHQSTFDCVAM-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.10693 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11421 171.4
[M+Na]+ 342.09615 181.8
[M-H]- 318.09965 174.7
[M+NH4]+ 337.14075 180.6
[M+K]+ 358.07009 172.9
[M+H-H2O]+ 302.10419 161.2
[M+HCOO]- 364.10513 189.6
[M+CH3COO]- 378.12078 181.2
[M+Na-2H]- 340.08160 178.2
[M]+ 319.10638 169.7
[M]- 319.10748 169.7
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.