CID 11948688

Chembl210282

Structural Information

Molecular Formula
C17H15ClN2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCO
InChI
InChI=1S/C17H15ClN2O4S/c18-11-6-7-14-13(10-11)16(15(20-14)17(22)19-8-9-21)25(23,24)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9H2,(H,19,22)
InChIKey
HFRVOQRRRDHBCD-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

378.0441 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05138 183.9
[M+Na]+ 401.03332 193.6
[M-H]- 377.03682 188.8
[M+NH4]+ 396.07792 197.3
[M+K]+ 417.00726 186.3
[M+H-H2O]+ 361.04136 178.1
[M+HCOO]- 423.04230 195.2
[M+CH3COO]- 437.05795 208.7
[M+Na-2H]- 399.01877 187.0
[M]+ 378.04355 189.5
[M]- 378.04465 189.5
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