CID 135409151

Nsc660339

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CC1=CC(=NN1C2=NC(=C(C(=O)N2)CCO)C)C
InChI
InChI=1S/C12H16N4O2/c1-7-6-8(2)16(15-7)12-13-9(3)10(4-5-17)11(18)14-12/h6,17H,4-5H2,1-3H3,(H,13,14,18)
InChIKey
XJNLBPRZHIMFSE-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.12732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.134596 157.9
[M+Na]+ 271.116538 169.3
[M-H]- 247.120044 158.2
[M+NH4]+ 266.161143 171.1
[M+K]+ 287.090478 163.9
[M+H-H2O]+ 231.124580 149.4
[M+HCOO]- 293.125521 175.9
[M+CH3COO]- 307.141171 191.4
[M+Na-2H]- 269.101986 159.5
[M]+ 248.12677142 159.5
[M]- 248.12786858 159.5
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.