CID 6433785
Trans-n,2-dimethyldibenzo(b,e)thiepin(sup 11(6h),gamma)-propylamine hydrochloride
Structural Information
- Molecular Formula
- C19H21NS
- SMILES
- CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CCNC
- InChI
- InChI=1S/C19H21NS/c1-14-9-10-19-18(12-14)17(8-5-11-20-2)16-7-4-3-6-15(16)13-21-19/h3-4,6-10,12,20H,5,11,13H2,1-2H3/b17-8+
- InChIKey
- ZHWBZISWDPBKOY-CAOOACKPSA-N
- Compound name
- (3E)-N-methyl-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.14675 | 168.5 |
[M+Na]+ | 318.12869 | 174.1 |
[M-H]- | 294.13219 | 174.4 |
[M+NH4]+ | 313.17329 | 185.5 |
[M+K]+ | 334.10263 | 172.1 |
[M+H-H2O]+ | 278.13673 | 163.4 |
[M+HCOO]- | 340.13767 | 183.5 |
[M+CH3COO]- | 354.15332 | 178.8 |
[M+Na-2H]- | 316.11414 | 171.8 |
[M]+ | 295.13892 | 166.8 |
[M]- | 295.14002 | 166.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.