CID 204588
Benzo(b)thiophene-3-methylamine, n-benzyl-n-(2-chloroethyl)-, hydrochloride
Structural Information
- Molecular Formula
- C18H18ClNS
- SMILES
- C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=CC=CC=C32
- InChI
- InChI=1S/C18H18ClNS/c19-10-11-20(12-15-6-2-1-3-7-15)13-16-14-21-18-9-5-4-8-17(16)18/h1-9,14H,10-13H2
- InChIKey
- DVMQRVUFYWXROD-UHFFFAOYSA-N
- Compound name
- N-(1-benzothiophen-3-ylmethyl)-N-benzyl-2-chloroethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 316.09212 | 172.9 |
[M+Na]+ | 338.07406 | 182.0 |
[M-H]- | 314.07756 | 182.0 |
[M+NH4]+ | 333.11866 | 192.3 |
[M+K]+ | 354.04800 | 175.3 |
[M+H-H2O]+ | 298.08210 | 166.1 |
[M+HCOO]- | 360.08304 | 190.0 |
[M+CH3COO]- | 374.09869 | 185.3 |
[M+Na-2H]- | 336.05951 | 175.9 |
[M]+ | 315.08429 | 180.1 |
[M]- | 315.08539 | 180.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.