CID 154699493

Galantamine metabolite m23

Structural Information

Molecular Formula
C16H19NO6S
SMILES
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OS(=O)(=O)O)O
InChI
InChI=1S/C16H19NO6S/c1-17-7-6-16-5-4-11(18)8-13(16)22-15-12(23-24(19,20)21)3-2-10(9-17)14(15)16/h2-5,11,13,18H,6-9H2,1H3,(H,19,20,21)/t11-,13-,16-/m0/s1
InChIKey
AVISFYJLJIUZGB-RBOXIYTFSA-N
Compound name
[(1S,12S,14R)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.09332 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10060 176.1
[M+Na]+ 376.08254 183.6
[M+NH4]+ 371.12714 183.2
[M+K]+ 392.05648 179.7
[M-H]- 352.08604 176.2
[M+Na-2H]- 374.06799 177.3
[M]+ 353.09277 177.7
[M]- 353.09387 177.7
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

No patent data available for this compound.