CID 6870055

1285571-49-4

Structural Information

Molecular Formula
C13H9BrN4O2S
SMILES
C1=COC(=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br
InChI
InChI=1S/C13H9BrN4O2S/c14-12-4-3-11(21-12)9-6-10(17-16-9)13(19)18-15-7-8-2-1-5-20-8/h1-7H,(H,16,17)(H,18,19)/b15-7+
InChIKey
JYZLOUWGENTCRF-VIZOYTHASA-N
Compound name
5-(5-bromothiophen-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

363.96295 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.97023 174.0
[M+Na]+ 386.95217 175.2
[M+NH4]+ 381.99677 177.2
[M+K]+ 402.92611 178.8
[M-H]- 362.95567 177.1
[M+Na-2H]- 384.93762 177.0
[M]+ 363.96240 174.0
[M]- 363.96350 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.