CID 136027792

1350989-15-9

Structural Information

Molecular Formula
C10H13N5O
SMILES
CC1=NN(C(=C1)N)C2=NC(=C(C(=O)N2)C)C
InChI
InChI=1S/C10H13N5O/c1-5-4-8(11)15(14-5)10-12-7(3)6(2)9(16)13-10/h4H,11H2,1-3H3,(H,12,13,16)
InChIKey
BOUOWBPSCZVOLB-UHFFFAOYSA-N
Compound name
2-(5-amino-3-methylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 150.4
[M+Na]+ 242.10123 162.4
[M-H]- 218.10473 151.9
[M+NH4]+ 237.14583 165.0
[M+K]+ 258.07517 157.3
[M+H-H2O]+ 202.10927 141.9
[M+HCOO]- 264.11021 170.8
[M+CH3COO]- 278.12586 190.1
[M+Na-2H]- 240.08668 153.0
[M]+ 219.11146 150.1
[M]- 219.11256 150.1
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.