CID 483551

3-(benzenesulfonyl)-5-chloro-n-[(1r)-2-hydroxy-1-phenyl-ethyl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C23H19ClN2O4S
SMILES
C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19ClN2O4S/c24-16-11-12-19-18(13-16)22(31(29,30)17-9-5-2-6-10-17)21(25-19)23(28)26-20(14-27)15-7-3-1-4-8-15/h1-13,20,25,27H,14H2,(H,26,28)/t20-/m0/s1
InChIKey
QGBUHPHJWGAMTC-FQEVSTJZSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.0754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.08268 203.6
[M+Na]+ 477.06462 211.4
[M-H]- 453.06812 211.1
[M+NH4]+ 472.10922 213.1
[M+K]+ 493.03856 203.7
[M+H-H2O]+ 437.07266 196.4
[M+HCOO]- 499.07360 213.2
[M+CH3COO]- 513.08925 212.0
[M+Na-2H]- 475.05007 205.5
[M]+ 454.07485 208.3
[M]- 454.07595 208.3
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.