CID 3056199
Piperazine, 1-(4-((1,1'-biphenyl)-4-ylmethyl)-2-thiazolyl)-, hydrochloride, hydrate (2:4:1)
Structural Information
- Molecular Formula
- C20H21N3S
- SMILES
- C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C4=CC=CC=C4
- InChI
- InChI=1S/C20H21N3S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-19-15-24-20(22-19)23-12-10-21-11-13-23/h1-9,15,21H,10-14H2
- InChIKey
- GEQLCTCVWQBSGG-UHFFFAOYSA-N
- Compound name
- 4-[(4-phenylphenyl)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]+ | 336.15291 | 177.7 |
[M+Na]+ | 358.13485 | 183.9 |
[M-H]- | 334.13835 | 184.5 |
[M+NH4]+ | 353.17945 | 188.3 |
[M+K]+ | 374.10879 | 175.9 |
[M+H-H2O]+ | 318.14289 | 167.3 |
[M+HCOO]- | 380.14383 | 189.4 |
[M+CH3COO]- | 394.15948 | 186.4 |
[M+Na-2H]- | 356.12030 | 176.9 |
[M]+ | 335.14508 | 173.2 |
[M]- | 335.14618 | 173.2 |
Literature stripe
No literature data available for this compound.