CID 3003006

3-(benzenesulfonyl)-5-chloro-n-[(1s)-1-phenylethyl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C23H19ClN2O3S
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19ClN2O3S/c1-15(16-8-4-2-5-9-16)25-23(27)21-22(19-14-17(24)12-13-20(19)26-21)30(28,29)18-10-6-3-7-11-18/h2-15,26H,1H3,(H,25,27)/t15-/m0/s1
InChIKey
MORLBVIFNQQHBA-HNNXBMFYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.0805 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.08778 202.2
[M+Na]+ 461.06972 210.9
[M-H]- 437.07322 211.1
[M+NH4]+ 456.11432 213.2
[M+K]+ 477.04366 203.0
[M+H-H2O]+ 421.07776 194.7
[M+HCOO]- 483.07870 213.1
[M+CH3COO]- 497.09435 211.4
[M+Na-2H]- 459.05517 203.9
[M]+ 438.07995 207.3
[M]- 438.08105 207.3
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.