CID 25258213

Lycojapodine a

Structural Information

Molecular Formula
C16H23NO3
SMILES
C[C@@H]1C[C@H]2CC(=O)O[C@@]3(C1)[C@@]24CCCN3CCCC4=O
InChI
InChI=1S/C16H23NO3/c1-11-8-12-9-14(19)20-16(10-11)15(12)5-3-7-17(16)6-2-4-13(15)18/h11-12H,2-10H2,1H3/t11-,12+,15+,16+/m1/s1
InChIKey
QZNUIODTYIUAMN-KNPMLCFXSA-N
Compound name
(1R,2S,6S,16R)-16-methyl-5-oxa-7-azatetracyclo[5.4.3.32,6.01,6]heptadecane-4,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

277.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 163.1
[M+Na]+ 300.15702 166.5
[M-H]- 276.16052 168.3
[M+NH4]+ 295.20162 181.0
[M+K]+ 316.13096 166.4
[M+H-H2O]+ 260.16506 154.8
[M+HCOO]- 322.16600 171.4
[M+CH3COO]- 336.18165 172.0
[M+Na-2H]- 298.14247 166.9
[M]+ 277.16725 153.8
[M]- 277.16835 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe