CID 392155

Nsc692035

Structural Information

Molecular Formula
C14H13N5O2S
SMILES
CSC1=C(C(=O)N(C(=C1C(=O)NC2=CC=CC=C2)N)N)C#N
InChI
InChI=1S/C14H13N5O2S/c1-22-11-9(7-15)14(21)19(17)12(16)10(11)13(20)18-8-5-3-2-4-6-8/h2-6H,16-17H2,1H3,(H,18,20)
InChIKey
RWHOVEUNUBVGMP-UHFFFAOYSA-N
Compound name
1,2-diamino-5-cyano-4-methylsulfanyl-6-oxo-N-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.079 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08628 180.5
[M+Na]+ 338.06822 190.3
[M-H]- 314.07172 184.5
[M+NH4]+ 333.11282 191.4
[M+K]+ 354.04216 185.3
[M+H-H2O]+ 298.07626 165.5
[M+HCOO]- 360.07720 195.4
[M+CH3COO]- 374.09285 221.7
[M+Na-2H]- 336.05367 179.5
[M]+ 315.07845 175.0
[M]- 315.07955 175.0
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.