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 140.1
[M+Na]+ 215.09032 153.1
[M+NH4]+ 210.13492 146.9
[M+K]+ 231.06426 149.6
[M-H]- 191.09382 140.3
[M+Na-2H]- 213.07577 144.9
[M]+ 192.10055 141.8
[M]- 192.10165 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.