CID 978801

5-bromo-n-(4-sulfamoylphenyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C12H10BrN3O3S
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=CN=C2)Br)S(=O)(=O)N
InChI
InChI=1S/C12H10BrN3O3S/c13-9-5-8(6-15-7-9)12(17)16-10-1-3-11(4-2-10)20(14,18)19/h1-7H,(H,16,17)(H2,14,18,19)
InChIKey
WKBMXPZHJADWKV-UHFFFAOYSA-N
Compound name
5-bromo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.96262 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.96990 159.0
[M+Na]+ 377.95184 169.9
[M-H]- 353.95534 166.8
[M+NH4]+ 372.99644 173.9
[M+K]+ 393.92578 156.7
[M+H-H2O]+ 337.95988 156.9
[M+HCOO]- 399.96082 175.3
[M+CH3COO]- 413.97647 207.3
[M+Na-2H]- 375.93729 165.6
[M]+ 354.96207 177.8
[M]- 354.96317 177.8
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

patents stripe