CID 54593382

6-(aminomethyl)-5,7-dimethyl-1h,2h-pyrazolo[1,5-a]pyrimidin-2-one dihydrochloride

Structural Information

Molecular Formula
C9H12N4O
SMILES
CC1=C(C(=NC2=CC(=O)NN12)C)CN
InChI
InChI=1S/C9H12N4O/c1-5-7(4-10)6(2)13-8(11-5)3-9(14)12-13/h3H,4,10H2,1-2H3,(H,12,14)
InChIKey
MAKLZWUAMGJCNL-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 140.8
[M+Na]+ 215.09032 153.4
[M-H]- 191.09382 141.2
[M+NH4]+ 210.13492 159.1
[M+K]+ 231.06426 148.7
[M+H-H2O]+ 175.09836 133.8
[M+HCOO]- 237.09930 162.8
[M+CH3COO]- 251.11495 184.4
[M+Na-2H]- 213.07577 146.5
[M]+ 192.10055 142.0
[M]- 192.10165 142.0
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.