CID 6869558

303104-92-9

Structural Information

Molecular Formula
C15H11BrN4O2S
SMILES
C1=CC(=CC(=C1)O)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br
InChI
InChI=1S/C15H11BrN4O2S/c16-14-5-4-13(23-14)11-7-12(19-18-11)15(22)20-17-8-9-2-1-3-10(21)6-9/h1-8,21H,(H,18,19)(H,20,22)/b17-8+
InChIKey
DREMFXIYUWJROJ-CAOOACKPSA-N
Compound name
5-(5-bromothiophen-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.9786 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.98588 171.3
[M+Na]+ 412.96782 183.8
[M-H]- 388.97132 181.6
[M+NH4]+ 408.01242 187.2
[M+K]+ 428.94176 170.1
[M+H-H2O]+ 372.97586 169.6
[M+HCOO]- 434.97680 190.6
[M+CH3COO]- 448.99245 184.7
[M+Na-2H]- 410.95327 174.0
[M]+ 389.97805 191.9
[M]- 389.97915 191.9
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.