CID 387153

Nsc680667

Structural Information

Molecular Formula
C18H15N5O2
SMILES
C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O
InChI
InChI=1S/C18H15N5O2/c24-15-12(10-11-6-2-1-3-7-11)16(25)22-18(21-15)23-17-19-13-8-4-5-9-14(13)20-17/h1-9H,10H2,(H4,19,20,21,22,23,24,25)
InChIKey
UUXDVZOIILNGKS-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1226 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12988 175.6
[M+Na]+ 356.11182 185.5
[M-H]- 332.11532 178.7
[M+NH4]+ 351.15642 184.2
[M+K]+ 372.08576 176.4
[M+H-H2O]+ 316.11986 165.1
[M+HCOO]- 378.12080 193.5
[M+CH3COO]- 392.13645 184.9
[M+Na-2H]- 354.09727 181.8
[M]+ 333.12205 174.2
[M]- 333.12315 174.2
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.