CID 135409211

Nsc666288

Structural Information

Molecular Formula
C14H15N5O2
SMILES
CC1=C(C(=O)NC(=N1)NC2=NC3=CC=CC=C3N2)CCO
InChI
InChI=1S/C14H15N5O2/c1-8-9(6-7-20)12(21)18-13(15-8)19-14-16-10-4-2-3-5-11(10)17-14/h2-5,20H,6-7H2,1H3,(H3,15,16,17,18,19,21)
InChIKey
KLIRUXAEXSHDOM-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1226 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 164.9
[M+Na]+ 308.11182 175.4
[M-H]- 284.11532 164.8
[M+NH4]+ 303.15642 176.1
[M+K]+ 324.08576 167.8
[M+H-H2O]+ 268.11986 155.8
[M+HCOO]- 330.12080 182.9
[M+CH3COO]- 344.13645 175.0
[M+Na-2H]- 306.09727 170.6
[M]+ 285.12205 164.6
[M]- 285.12315 164.6
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.