CID 3726387
6-phenyl-2-(pyrrolidine-1-carbonyl)thieno[2,3-b]pyridin-3-amine
Structural Information
- Molecular Formula
- C18H17N3OS
- SMILES
- C1CCN(C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CC=C4)N
- InChI
- InChI=1S/C18H17N3OS/c19-15-13-8-9-14(12-6-2-1-3-7-12)20-17(13)23-16(15)18(22)21-10-4-5-11-21/h1-3,6-9H,4-5,10-11,19H2
- InChIKey
- XQAZIKOCAFFEIY-UHFFFAOYSA-N
- Compound name
- (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-pyrrolidin-1-ylmethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.11650 | 174.3 |
[M+Na]+ | 346.09844 | 183.6 |
[M-H]- | 322.10194 | 183.2 |
[M+NH4]+ | 341.14304 | 190.7 |
[M+K]+ | 362.07238 | 177.7 |
[M+H-H2O]+ | 306.10648 | 166.7 |
[M+HCOO]- | 368.10742 | 191.4 |
[M+CH3COO]- | 382.12307 | 185.7 |
[M+Na-2H]- | 344.08389 | 173.0 |
[M]+ | 323.10867 | 175.0 |
[M]- | 323.10977 | 175.0 |
Literature stripe
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