CID 2554430
3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Structural Information
- Molecular Formula
- C17H19NO3S
- SMILES
- COC1=CC(=CC(=C1)C(=O)C2=C(SC3=C2CCCC3)N)OC
- InChI
- InChI=1S/C17H19NO3S/c1-20-11-7-10(8-12(9-11)21-2)16(19)15-13-5-3-4-6-14(13)22-17(15)18/h7-9H,3-6,18H2,1-2H3
- InChIKey
- KGTRUCMMVYOPBX-UHFFFAOYSA-N
- Compound name
- (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.11583 | 171.9 |
[M+Na]+ | 340.09777 | 182.8 |
[M+NH4]+ | 335.14237 | 180.4 |
[M+K]+ | 356.07171 | 176.3 |
[M-H]- | 316.10127 | 176.2 |
[M+Na-2H]- | 338.08322 | 176.7 |
[M]+ | 317.10800 | 175.0 |
[M]- | 317.10910 | 175.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.