CID 3056214
Piperazine, 1-(4-((4-(phenylthio)phenyl)methyl)-2-thiazolyl)-, monohydrochloride
Structural Information
- Molecular Formula
- C20H21N3S2
- SMILES
- C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)SC4=CC=CC=C4
- InChI
- InChI=1S/C20H21N3S2/c1-2-4-18(5-3-1)25-19-8-6-16(7-9-19)14-17-15-24-20(22-17)23-12-10-21-11-13-23/h1-9,15,21H,10-14H2
- InChIKey
- OWISSYJSTNBENL-UHFFFAOYSA-N
- Compound name
- 4-[(4-phenylsulfanylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 368.12496 | 180.2 |
[M+Na]+ | 390.10690 | 187.4 |
[M-H]- | 366.11040 | 186.8 |
[M+NH4]+ | 385.15150 | 190.4 |
[M+K]+ | 406.08084 | 178.5 |
[M+H-H2O]+ | 350.11494 | 171.3 |
[M+HCOO]- | 412.11588 | 187.4 |
[M+CH3COO]- | 426.13153 | 188.6 |
[M+Na-2H]- | 388.09235 | 178.3 |
[M]+ | 367.11713 | 177.1 |
[M]- | 367.11823 | 177.1 |
Literature stripe
No literature data available for this compound.