CID 44722291

303107-76-8

Structural Information

Molecular Formula
C15H9BrCl2N4OS
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br
InChI
InChI=1S/C15H9BrCl2N4OS/c16-14-4-3-13(24-14)11-6-12(21-20-11)15(23)22-19-7-8-1-2-9(17)5-10(8)18/h1-7H,(H,20,21)(H,22,23)/b19-7+
InChIKey
QEFPWTRVOBDANQ-FBCYGCLPSA-N
Compound name
5-(5-bromothiophen-2-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.90576 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.91304 187.6
[M+Na]+ 464.89498 192.1
[M+NH4]+ 459.93958 191.6
[M+K]+ 480.86892 191.2
[M-H]- 440.89848 190.5
[M+Na-2H]- 462.88043 192.0
[M]+ 441.90521 188.7
[M]- 441.90631 188.7
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.