CID 10403528

Galanthine

Structural Information

Molecular Formula
C18H23NO4
SMILES
CO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)C4=CC(=C(C=C4C3)OC)OC
InChI
InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3/t15-,16-,17+,18+/m0/s1
InChIKey
VOIMPDXOQJYVDI-WNRNVDISSA-N
Compound name
(1S,14S,15S,16S)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

68
Patents

317.16272 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 174.1
[M+Na]+ 340.151938 181.7
[M-H]- 316.155444 176.8
[M+NH4]+ 335.196543 192.2
[M+K]+ 356.125878 177.9
[M+H-H2O]+ 300.159980 167.1
[M+HCOO]- 362.160921 187.5
[M+CH3COO]- 376.176571 184.4
[M+Na-2H]- 338.137386 175.9
[M]+ 317.16217142 176.9
[M]- 317.16326858 176.9
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