CID 3071425
88013-29-0
Structural Information
- Molecular Formula
- C19H23BrN2OS
- SMILES
- CN1CC(C2=C(C1)SC(=C2)CN3CCOCC3)C4=CC=C(C=C4)Br
- InChI
- InChI=1S/C19H23BrN2OS/c1-21-12-18(14-2-4-15(20)5-3-14)17-10-16(24-19(17)13-21)11-22-6-8-23-9-7-22/h2-5,10,18H,6-9,11-13H2,1H3
- InChIKey
- DGUXFUPJDVOMCW-UHFFFAOYSA-N
- Compound name
- 4-[[4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 407.07872 | 183.8 |
[M+Na]+ | 429.06066 | 193.4 |
[M-H]- | 405.06416 | 194.0 |
[M+NH4]+ | 424.10526 | 198.3 |
[M+K]+ | 445.03460 | 182.0 |
[M+H-H2O]+ | 389.06870 | 182.8 |
[M+HCOO]- | 451.06964 | 192.2 |
[M+CH3COO]- | 465.08529 | 195.0 |
[M+Na-2H]- | 427.04611 | 183.5 |
[M]+ | 406.07089 | 200.6 |
[M]- | 406.07199 | 200.6 |
Literature stripe
No literature data available for this compound.