CID 387163

Nsc680677

Structural Information

Molecular Formula
C11H14N4O4
SMILES
CC1=C(N=C(NC1=O)N2C(=O)C(=C(N2)C)CCO)O
InChI
InChI=1S/C11H14N4O4/c1-5-8(17)12-11(13-9(5)18)15-10(19)7(3-4-16)6(2)14-15/h14,16H,3-4H2,1-2H3,(H2,12,13,17,18)
InChIKey
GDHUYCXJCDSRLV-UHFFFAOYSA-N
Compound name
4-hydroxy-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1015 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 160.3
[M+Na]+ 289.09072 171.9
[M-H]- 265.09422 158.5
[M+NH4]+ 284.13532 171.4
[M+K]+ 305.06466 165.8
[M+H-H2O]+ 249.09876 152.6
[M+HCOO]- 311.09970 176.1
[M+CH3COO]- 325.11535 189.1
[M+Na-2H]- 287.07617 160.8
[M]+ 266.10095 160.4
[M]- 266.10205 160.4
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.