CID 13396557

5-amino-2-methyl-4h,7h-pyrazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C7H8N4O
SMILES
CC1=CC2=NC(=CC(=O)N2N1)N
InChI
InChI=1S/C7H8N4O/c1-4-2-6-9-5(8)3-7(12)11(6)10-4/h2-3,10H,8H2,1H3
InChIKey
AEMCADJRSPHSGC-UHFFFAOYSA-N
Compound name
5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

164.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 131.1
[M+Na]+ 187.05903 143.7
[M-H]- 163.06253 131.5
[M+NH4]+ 182.10363 150.2
[M+K]+ 203.03297 139.5
[M+H-H2O]+ 147.06707 124.2
[M+HCOO]- 209.06801 153.8
[M+CH3COO]- 223.08366 145.1
[M+Na-2H]- 185.04448 138.6
[M]+ 164.06926 131.3
[M]- 164.07036 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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