CID 135679203

302918-72-5

Structural Information

Molecular Formula
C15H10BrClN4O2S
SMILES
C1=CC(=C(C=C1Br)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl)O
InChI
InChI=1S/C15H10BrClN4O2S/c16-9-1-2-12(22)8(5-9)7-18-21-15(23)11-6-10(19-20-11)13-3-4-14(17)24-13/h1-7,22H,(H,19,20)(H,21,23)/b18-7+
InChIKey
JYYFKHISDZFOPH-CNHKJKLMSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.93964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.94692 184.1
[M+Na]+ 446.92886 187.1
[M+NH4]+ 441.97346 187.2
[M+K]+ 462.90280 187.9
[M-H]- 422.93236 186.5
[M+Na-2H]- 444.91431 187.9
[M]+ 423.93909 184.5
[M]- 423.94019 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.