CID 442164
Amurensine
Structural Information
- Molecular Formula
- C19H19NO4
- SMILES
- CN1C[C@@H]2C3=CC(=C(C=C3C[C@H]1C4=CC5=C(C=C24)OCO5)OC)O
- InChI
- InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1
- InChIKey
- BXWVSGUITWLTOD-CABCVRRESA-N
- Compound name
- (1S,11R)-15-methoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaen-14-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 326.13868 | 177.0 |
[M+Na]+ | 348.12062 | 187.8 |
[M-H]- | 324.12412 | 183.7 |
[M+NH4]+ | 343.16522 | 193.4 |
[M+K]+ | 364.09456 | 184.7 |
[M+H-H2O]+ | 308.12866 | 176.3 |
[M+HCOO]- | 370.12960 | 185.9 |
[M+CH3COO]- | 384.14525 | 186.6 |
[M+Na-2H]- | 346.10607 | 183.4 |
[M]+ | 325.13085 | 180.4 |
[M]- | 325.13195 | 180.4 |