CID 10131512

O-acetylgalanthamine

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(=O)O[C@@H]1C[C@H]2[C@@]3(CCN(CC4=C3C(=C(C=C4)OC)O2)C)C=C1
InChI
InChI=1S/C19H23NO4/c1-12(21)23-14-6-7-19-8-9-20(2)11-13-4-5-15(22-3)18(17(13)19)24-16(19)10-14/h4-7,14,16H,8-11H2,1-3H3/t14-,16-,19-/m0/s1
InChIKey
ZTWNMOVEDXUICV-QOKNQOGYSA-N
Compound name
[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

329.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 176.9
[M+Na]+ 352.15194 183.1
[M-H]- 328.15544 183.3
[M+NH4]+ 347.19654 194.0
[M+K]+ 368.12588 183.5
[M+H-H2O]+ 312.15998 170.5
[M+HCOO]- 374.16092 190.1
[M+CH3COO]- 388.17657 187.0
[M+Na-2H]- 350.13739 179.5
[M]+ 329.16217 177.3
[M]- 329.16327 177.3
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