CID 506878

Chembl310319

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)C(C)O)C(=O)N)C
InChI
InChI=1S/C19H20N2O4S/c1-10-6-11(2)8-14(7-10)26(24,25)18-15-9-13(12(3)22)4-5-16(15)21-17(18)19(20)23/h4-9,12,21-22H,1-3H3,(H2,20,23)
InChIKey
XEDWCUZOQPGNSX-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylphenyl)sulfonyl-5-(1-hydroxyethyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

372.11438 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 186.7
[M+Na]+ 395.10360 195.8
[M-H]- 371.10710 191.4
[M+NH4]+ 390.14820 199.4
[M+K]+ 411.07754 190.1
[M+H-H2O]+ 355.11164 180.5
[M+HCOO]- 417.11258 199.9
[M+CH3COO]- 431.12823 214.8
[M+Na-2H]- 393.08905 185.9
[M]+ 372.11383 190.1
[M]- 372.11493 190.1
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