CID 54676869
Atpenin b
Structural Information
- Molecular Formula
- C15H23NO5
- SMILES
- CC[C@@H](C)C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O
- InChI
- InChI=1S/C15H23NO5/c1-6-8(2)7-9(3)11(17)10-12(18)13(20-4)15(21-5)16-14(10)19/h8-9H,6-7H2,1-5H3,(H2,16,18,19)/t8-,9+/m1/s1
- InChIKey
- UQWHXKHYKUVKKD-BDAKNGLRSA-N
- Compound name
- 3-[(2S,4R)-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 298.16490 | 167.1 |
[M+Na]+ | 320.14684 | 174.2 |
[M-H]- | 296.15034 | 167.0 |
[M+NH4]+ | 315.19144 | 180.2 |
[M+K]+ | 336.12078 | 172.3 |
[M+H-H2O]+ | 280.15488 | 160.5 |
[M+HCOO]- | 342.15582 | 183.8 |
[M+CH3COO]- | 356.17147 | 203.3 |
[M+Na-2H]- | 318.13229 | 165.0 |
[M]+ | 297.15707 | 171.5 |
[M]- | 297.15817 | 171.5 |