CID 6869534

302918-69-0

Structural Information

Molecular Formula
C15H10BrClN4OS
SMILES
C1=CC(=CC(=C1)Br)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C15H10BrClN4OS/c16-10-3-1-2-9(6-10)8-18-21-15(22)12-7-11(19-20-12)13-4-5-14(17)23-13/h1-8H,(H,19,20)(H,21,22)/b18-8+
InChIKey
SSLDNVOWDWYVDJ-QGMBQPNBSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.94473 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.95201 179.9
[M+Na]+ 430.93395 183.5
[M+NH4]+ 425.97855 183.9
[M+K]+ 446.90789 183.5
[M-H]- 406.93745 183.1
[M+Na-2H]- 428.91940 184.9
[M]+ 407.94418 180.7
[M]- 407.94528 180.7
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.