CID 32523

Apogalanthamine, methyl-, hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN1CCC2=CC=CC=C2C3=C(C1)C=CC(=C3O)OC
InChI
InChI=1S/C17H19NO2/c1-18-10-9-12-5-3-4-6-14(12)16-13(11-18)7-8-15(20-2)17(16)19/h3-8,19H,9-11H2,1-2H3
InChIKey
ZGZXDJPQXTUPSG-UHFFFAOYSA-N
Compound name
4-methoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

14
Patents

269.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 164.3
[M+Na]+ 292.130788 169.8
[M-H]- 268.134294 165.8
[M+NH4]+ 287.175393 171.9
[M+K]+ 308.104728 168.5
[M+H-H2O]+ 252.138830 159.8
[M+HCOO]- 314.139771 171.8
[M+CH3COO]- 328.155421 168.5
[M+Na-2H]- 290.116236 164.3
[M]+ 269.14102142 164.2
[M]- 269.14211858 164.2
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