CID 135876298

1171768-45-8

Structural Information

Molecular Formula
C11H15N5O
SMILES
CCCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)N
InChI
InChI=1S/C11H15N5O/c1-3-4-8-6-10(17)14-11(13-8)16-9(12)5-7(2)15-16/h5-6H,3-4,12H2,1-2H3,(H,13,14,17)
InChIKey
VAKSWEIXCMUADN-UHFFFAOYSA-N
Compound name
2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 153.3
[M+Na]+ 256.11688 165.7
[M+NH4]+ 251.16148 158.8
[M+K]+ 272.09082 162.3
[M-H]- 232.12038 154.1
[M+Na-2H]- 254.10233 159.0
[M]+ 233.12711 154.9
[M]- 233.12821 154.9
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.