CID 154699501

(3s)-5-[2-(benzenesulfonyl)ethyl]-3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C22H28N2O2S
SMILES
CN1CCC[C@@H]1C[C@@H]2CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,18-19,23H,5-6,11-13,15-16H2,1H3/t18-,19-/m1/s1
InChIKey
BBMOMQCRLMEOQE-RTBURBONSA-N
Compound name
(3S)-5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.18716 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19444 192.2
[M+Na]+ 407.17638 203.0
[M+NH4]+ 402.22098 199.6
[M+K]+ 423.15032 197.3
[M-H]- 383.17988 195.8
[M+Na-2H]- 405.16183 197.3
[M]+ 384.18661 195.1
[M]- 384.18771 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.