CID 6869548

302918-75-8

Structural Information

Molecular Formula
C16H13ClN4OS
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C16H13ClN4OS/c1-10-2-4-11(5-3-10)9-18-21-16(22)13-8-12(19-20-13)14-6-7-15(17)23-14/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKey
FQPDEHRQQRYLBN-GIJQJNRQSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.04987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05715 179.5
[M+Na]+ 367.03909 190.1
[M-H]- 343.04259 188.6
[M+NH4]+ 362.08369 194.9
[M+K]+ 383.01303 182.8
[M+H-H2O]+ 327.04713 171.5
[M+HCOO]- 389.04807 197.1
[M+CH3COO]- 403.06372 191.2
[M+Na-2H]- 365.02454 179.1
[M]+ 344.04932 184.5
[M]- 344.05042 184.5
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.