CID 91050
23905-07-9
Structural Information
- Molecular Formula
- C22H24ClN3S2
- SMILES
- C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CS4
- InChI
- InChI=1S/C22H24ClN3S2/c23-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)27-17-15-25-11-13-26(14-12-25)22-24-10-16-28-22/h1-10,16,21H,11-15,17H2
- InChIKey
- JCEDOKKGGJAAAA-UHFFFAOYSA-N
- Compound name
- 2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]-1,3-thiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 430.11730 | 194.8 |
[M+Na]+ | 452.09924 | 201.3 |
[M-H]- | 428.10274 | 202.3 |
[M+NH4]+ | 447.14384 | 203.8 |
[M+K]+ | 468.07318 | 192.6 |
[M+H-H2O]+ | 412.10728 | 185.3 |
[M+HCOO]- | 474.10822 | 196.9 |
[M+CH3COO]- | 488.12387 | 202.2 |
[M+Na-2H]- | 450.08469 | 190.9 |
[M]+ | 429.10947 | 195.3 |
[M]- | 429.11057 | 195.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.