CID 108108370

6-(5-amino-1h-pyrazol-3-yl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC(=O)NC(=C1)C2=CC(=NN2)N
InChI
InChI=1S/C8H8N4O/c9-7-4-6(11-12-7)5-2-1-3-8(13)10-5/h1-4H,(H,10,13)(H3,9,11,12)
InChIKey
TVSFEDRGGKIEGX-UHFFFAOYSA-N
Compound name
6-(3-amino-1H-pyrazol-5-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 135.1
[M+Na]+ 199.059028 144.8
[M-H]- 175.062534 135.8
[M+NH4]+ 194.103633 151.2
[M+K]+ 215.032968 139.7
[M+H-H2O]+ 159.067070 127.1
[M+HCOO]- 221.068011 156.2
[M+CH3COO]- 235.083661 147.5
[M+Na-2H]- 197.044476 140.9
[M]+ 176.06926142 130.6
[M]- 176.07035858 130.6
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