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 178.1
[M+Na]+ 446.92886 192.1
[M-H]- 422.93236 188.7
[M+NH4]+ 441.97346 193.9
[M+K]+ 462.90280 177.0
[M+H-H2O]+ 406.93690 177.0
[M+HCOO]- 468.93784 192.9
[M+CH3COO]- 482.95349 191.4
[M+Na-2H]- 444.91431 179.8
[M]+ 423.93909 201.0
[M]- 423.94019 201.0
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.