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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.