CID 44722294

307975-93-5

Structural Information

Molecular Formula
C17H13ClN4OS
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C17H13ClN4OS/c18-16-9-8-15(24-16)13-11-14(21-20-13)17(23)22-19-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,20,21)(H,22,23)/b7-4+,19-10+
InChIKey
RGQULDLNJBABBL-XLWYYFMFSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.04987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05715 181.8
[M+Na]+ 379.03909 194.2
[M+NH4]+ 374.08369 188.8
[M+K]+ 395.01303 187.6
[M-H]- 355.04259 186.6
[M+Na-2H]- 377.02454 190.2
[M]+ 356.04932 185.4
[M]- 356.05042 185.4
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.