CID 246848

Nsc60397

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CC1(C(C(=O)N=C(C1C(=O)N)N)C#N)C
InChI
InChI=1S/C9H12N4O2/c1-9(2)4(3-10)8(15)13-6(11)5(9)7(12)14/h4-5H,1-2H3,(H2,12,14)(H2,11,13,15)
InChIKey
LTPUATWSJJQUHX-UHFFFAOYSA-N
Compound name
2-amino-5-cyano-4,4-dimethyl-6-oxo-3,5-dihydropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 145.5
[M+Na]+ 231.08524 155.5
[M-H]- 207.08874 147.3
[M+NH4]+ 226.12984 162.4
[M+K]+ 247.05918 153.4
[M+H-H2O]+ 191.09328 133.7
[M+HCOO]- 253.09422 162.9
[M+CH3COO]- 267.10987 203.5
[M+Na-2H]- 229.07069 147.4
[M]+ 208.09547 137.4
[M]- 208.09657 137.4
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.