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

1
Patents

219.11201 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.119286 150.4
[M+Na]+ 242.101228 162.4
[M-H]- 218.104734 151.9
[M+NH4]+ 237.145833 165.0
[M+K]+ 258.075168 157.3
[M+H-H2O]+ 202.109270 141.9
[M+HCOO]- 264.110211 170.8
[M+CH3COO]- 278.125861 190.1
[M+Na-2H]- 240.086676 153.0
[M]+ 219.11146142 150.1
[M]- 219.11255858 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

patents stripe