CID 39234
42583-66-4
Structural Information
- Molecular Formula
- C21H26N2OS
- SMILES
- CC(=O)C1C(N(C2=CC=CC=C2S1)CCCN(C)C)C3=CC=CC=C3
- InChI
- InChI=1S/C21H26N2OS/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21/h4-8,10-13,20-21H,9,14-15H2,1-3H3
- InChIKey
- KJKUTCSZMKBGKI-UHFFFAOYSA-N
- Compound name
- 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.18385 | 184.6 |
[M+Na]+ | 377.16579 | 189.5 |
[M-H]- | 353.16929 | 190.9 |
[M+NH4]+ | 372.21039 | 197.9 |
[M+K]+ | 393.13973 | 184.6 |
[M+H-H2O]+ | 337.17383 | 175.3 |
[M+HCOO]- | 399.17477 | 197.9 |
[M+CH3COO]- | 413.19042 | 221.1 |
[M+Na-2H]- | 375.15124 | 184.5 |
[M]+ | 354.17602 | 186.6 |
[M]- | 354.17712 | 186.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.