CID 9838394

N-desmethyl galanthamine

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1
InChI
InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1
InChIKey
AIXQQSTVOSFSMO-RBOXIYTFSA-N
Compound name
(1S,12S,14R)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

168
Patents

273.1365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 159.1
[M+Na]+ 296.12572 168.6
[M+NH4]+ 291.17032 168.4
[M+K]+ 312.09966 164.1
[M-H]- 272.12922 161.6
[M+Na-2H]- 294.11117 162.1
[M]+ 273.13595 161.2
[M]- 273.13705 161.2
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