CID 89768286

Sbi-425

Structural Information

Molecular Formula
C13H12ClN3O4S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CN=CC(=C2)C(=O)N
InChI
InChI=1S/C13H12ClN3O4S/c1-21-11-3-2-9(14)5-12(11)22(19,20)17-10-4-8(13(15)18)6-16-7-10/h2-7,17H,1H3,(H2,15,18)
InChIKey
SBAITEDLNTYIOE-UHFFFAOYSA-N
Compound name
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

26
Patents

341.0237 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03098 172.1
[M+Na]+ 364.01292 180.9
[M-H]- 340.01642 177.8
[M+NH4]+ 359.05752 184.6
[M+K]+ 379.98686 175.6
[M+H-H2O]+ 324.02096 164.9
[M+HCOO]- 386.02190 185.9
[M+CH3COO]- 400.03755 209.4
[M+Na-2H]- 361.99837 175.6
[M]+ 341.02315 176.7
[M]- 341.02425 176.7
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

patents stripe