CID 229086

6974-82-9

Structural Information

Molecular Formula
C10H7N5O
SMILES
CC1=CC(=O)C(=C2N1NC(=C2C#N)N)C#N
InChI
InChI=1S/C10H7N5O/c1-5-2-8(16)6(3-11)9-7(4-12)10(13)14-15(5)9/h2,14H,13H2,1H3
InChIKey
SBVKBCDCWWODKH-UHFFFAOYSA-N
Compound name
2-amino-7-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.072336 159.8
[M+Na]+ 236.054278 171.7
[M-H]- 212.057784 160.4
[M+NH4]+ 231.098883 171.2
[M+K]+ 252.028218 166.6
[M+H-H2O]+ 196.062320 143.4
[M+HCOO]- 258.063261 171.2
[M+CH3COO]- 272.078911 166.8
[M+Na-2H]- 234.039726 160.5
[M]+ 213.06451142 151.6
[M]- 213.06560858 151.6
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

No patent data available for this compound.