CID 392156

Nsc692036

Structural Information

Molecular Formula
C11H11ClN4OS
SMILES
CSC1=NNC(=C1C(=O)NC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H11ClN4OS/c1-18-11-8(9(13)15-16-11)10(17)14-7-4-2-6(12)3-5-7/h2-5H,1H3,(H,14,17)(H3,13,15,16)
InChIKey
YSMOMJMTPUQNKG-UHFFFAOYSA-N
Compound name
5-amino-N-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04148 160.5
[M+Na]+ 305.02342 170.0
[M-H]- 281.02692 163.9
[M+NH4]+ 300.06802 175.9
[M+K]+ 320.99736 163.2
[M+H-H2O]+ 265.03146 153.6
[M+HCOO]- 327.03240 173.6
[M+CH3COO]- 341.04805 197.4
[M+Na-2H]- 303.00887 160.6
[M]+ 282.03365 161.6
[M]- 282.03475 161.6
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.