CID 6869535

303106-98-1

Structural Information

Molecular Formula
C17H15ClN4OS
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C17H15ClN4OS/c1-2-11-3-5-12(6-4-11)10-19-22-17(23)14-9-13(20-21-14)15-7-8-16(18)24-15/h3-10H,2H2,1H3,(H,20,21)(H,22,23)/b19-10+
InChIKey
PGUFBZKBNAKMMW-VXLYETTFSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(4-ethylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06552 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07280 183.7
[M+Na]+ 381.05474 193.8
[M-H]- 357.05824 192.6
[M+NH4]+ 376.09934 198.6
[M+K]+ 397.02868 186.4
[M+H-H2O]+ 341.06278 175.5
[M+HCOO]- 403.06372 201.0
[M+CH3COO]- 417.07937 195.0
[M+Na-2H]- 379.04019 182.8
[M]+ 358.06497 189.1
[M]- 358.06607 189.1
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.