CID 135876292

1170363-87-7

Structural Information

Molecular Formula
C10H13N5O
SMILES
CCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)N
InChI
InChI=1S/C10H13N5O/c1-3-7-5-9(16)13-10(12-7)15-8(11)4-6(2)14-15/h4-5H,3,11H2,1-2H3,(H,12,13,16)
InChIKey
XPEUDXYKRDHTJB-UHFFFAOYSA-N
Compound name
2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

219.11201 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11929 149.7
[M+Na]+ 242.10123 160.8
[M-H]- 218.10473 150.8
[M+NH4]+ 237.14583 164.0
[M+K]+ 258.07517 155.8
[M+H-H2O]+ 202.10927 140.9
[M+HCOO]- 264.11021 170.2
[M+CH3COO]- 278.12586 188.8
[M+Na-2H]- 240.08668 153.1
[M]+ 219.11146 149.0
[M]- 219.11256 149.0
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.