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]+ 249.13460 157.9
[M+Na]+ 271.11654 169.3
[M-H]- 247.12004 158.2
[M+NH4]+ 266.16114 171.1
[M+K]+ 287.09048 163.9
[M+H-H2O]+ 231.12458 149.4
[M+HCOO]- 293.12552 175.9
[M+CH3COO]- 307.14117 191.4
[M+Na-2H]- 269.10199 159.5
[M]+ 248.12677 159.5
[M]- 248.12787 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.