CID 5481737
Chembl314124
Structural Information
- Molecular Formula
- C30H32Cl2N2O3S
- SMILES
- CN(C[C@@H](CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC5=CC=CC=C5
- InChI
- InChI=1S/C30H32Cl2N2O3S/c1-33(29(35)37-24-7-3-2-4-8-24)20-23(22-11-12-26(31)27(32)19-22)13-16-34-17-14-30(15-18-34)21-38(36)28-10-6-5-9-25(28)30/h2-12,19,23H,13-18,20-21H2,1H3/t23-,38?/m1/s1
- InChIKey
- CSYLEHSOUHZAFC-KYCCWORLSA-N
- Compound name
- phenyl N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 571.15834 | 233.0 |
[M+Na]+ | 593.14028 | 237.6 |
[M-H]- | 569.14378 | 243.2 |
[M+NH4]+ | 588.18488 | 242.2 |
[M+K]+ | 609.11422 | 230.9 |
[M+H-H2O]+ | 553.14832 | 223.6 |
[M+HCOO]- | 615.14926 | 234.4 |
[M+CH3COO]- | 629.16491 | 238.6 |
[M+Na-2H]- | 591.12573 | 228.6 |
[M]+ | 570.15051 | 238.0 |
[M]- | 570.15161 | 238.0 |
Literature stripe
Patent stripe
No patent data available for this compound.