CID 204567
Benzo(b)thiophene-3-methylamine, n-benzyl-5-chloro-n-(2-chloroethyl)-, hydrochloride
Structural Information
- Molecular Formula
- C18H17Cl2NS
- SMILES
- C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=C2C=C(C=C3)Cl
- InChI
- InChI=1S/C18H17Cl2NS/c19-8-9-21(11-14-4-2-1-3-5-14)12-15-13-22-18-7-6-16(20)10-17(15)18/h1-7,10,13H,8-9,11-12H2
- InChIKey
- WLAWAGMHBCJOBE-UHFFFAOYSA-N
- Compound name
- N-benzyl-2-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]ethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 350.05315 | 180.0 |
[M+Na]+ | 372.03509 | 190.1 |
[M-H]- | 348.03859 | 188.6 |
[M+NH4]+ | 367.07969 | 198.6 |
[M+K]+ | 388.00903 | 182.4 |
[M+H-H2O]+ | 332.04313 | 173.9 |
[M+HCOO]- | 394.04407 | 191.8 |
[M+CH3COO]- | 408.05972 | 191.8 |
[M+Na-2H]- | 370.02054 | 181.3 |
[M]+ | 349.04532 | 188.6 |
[M]- | 349.04642 | 188.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.