CID 864492
409351-28-6
Structural Information
- Molecular Formula
- C18H19N3O2S
- SMILES
- CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)OC)N)C
- InChI
- InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
- InChIKey
- MDNWGCQSCGNTKH-UHFFFAOYSA-N
- Compound name
- 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 342.12708 | 180.0 |
[M+Na]+ | 364.10902 | 192.9 |
[M+NH4]+ | 359.15362 | 187.7 |
[M+K]+ | 380.08296 | 185.7 |
[M-H]- | 340.11252 | 184.9 |
[M+Na-2H]- | 362.09447 | 186.4 |
[M]+ | 341.11925 | 183.6 |
[M]- | 341.12035 | 183.6 |