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]+ 234.134936 154.1
[M+Na]+ 256.116878 164.7
[M-H]- 232.120384 155.0
[M+NH4]+ 251.161483 167.8
[M+K]+ 272.090818 159.4
[M+H-H2O]+ 216.124920 145.0
[M+HCOO]- 278.125861 174.2
[M+CH3COO]- 292.141511 191.8
[M+Na-2H]- 254.102326 157.0
[M]+ 233.12711142 153.7
[M]- 233.12820858 153.7
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.