CID 392157

Nsc692037

Structural Information

Molecular Formula
C11H12N4OS
SMILES
CSC1=NNC(=C1C(=O)NC2=CC=CC=C2)N
InChI
InChI=1S/C11H12N4OS/c1-17-11-8(9(12)14-15-11)10(16)13-7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)(H3,12,14,15)
InChIKey
KCRKRIUMPPYIDZ-UHFFFAOYSA-N
Compound name
5-amino-3-methylsulfanyl-N-phenyl-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07318 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08046 153.3
[M+Na]+ 271.06240 161.4
[M-H]- 247.06590 156.5
[M+NH4]+ 266.10700 168.9
[M+K]+ 287.03634 156.2
[M+H-H2O]+ 231.07044 145.6
[M+HCOO]- 293.07138 171.2
[M+CH3COO]- 307.08703 192.5
[M+Na-2H]- 269.04785 154.7
[M]+ 248.07263 152.1
[M]- 248.07373 152.1
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.