CID 394295

Nsc697662

Structural Information

Molecular Formula
C12H13N5O
SMILES
CC1=NN2C(=C1)N(C=C(C2=O)C3=CC=NN3C)C
InChI
InChI=1S/C12H13N5O/c1-8-6-11-15(2)7-9(12(18)17(11)14-8)10-4-5-13-16(10)3/h4-7H,1-3H3
InChIKey
JAURYXVBELPSFX-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11201 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 154.8
[M+Na]+ 266.10123 169.3
[M-H]- 242.10473 158.3
[M+NH4]+ 261.14583 171.1
[M+K]+ 282.07517 164.5
[M+H-H2O]+ 226.10927 145.8
[M+HCOO]- 288.11021 176.2
[M+CH3COO]- 302.12586 168.3
[M+Na-2H]- 264.08668 157.8
[M]+ 243.11146 160.3
[M]- 243.11256 160.3
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.