CID 503516

Chembl424014

Structural Information

Molecular Formula
C19H17ClN2O3S2
SMILES
CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C19H17ClN2O3S2/c1-11-9-17(12(2)8-14(11)20)27(24,25)22-15-10-16(26-18(15)19(21)23)13-6-4-3-5-7-13/h3-10,22H,1-2H3,(H2,21,23)
InChIKey
AVLUOOBKRNWXAE-UHFFFAOYSA-N
Compound name
3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

420.03693 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.04421 197.0
[M+Na]+ 443.02615 206.3
[M-H]- 419.02965 207.0
[M+NH4]+ 438.07075 210.0
[M+K]+ 459.00009 198.2
[M+H-H2O]+ 403.03419 190.8
[M+HCOO]- 465.03513 206.6
[M+CH3COO]- 479.05078 224.5
[M+Na-2H]- 441.01160 195.4
[M]+ 420.03638 202.2
[M]- 420.03748 202.2
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