CID 3048341

2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-alpha-trimethyl-, acetate (ester), hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)OC(=O)C
InChI
InChI=1S/C17H23NO2/c1-11-16-9-13-5-6-14(20-12(2)19)10-15(13)17(11,3)7-8-18(16)4/h5-6,10-11,16H,7-9H2,1-4H3/t11-,16-,17+/m0/s1
InChIKey
QYDQZSAKACVNNF-MZPVMMEZSA-N
Compound name
[(1R,9S,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.9
[M+Na]+ 296.16210 178.6
[M+NH4]+ 291.20670 176.5
[M+K]+ 312.13604 169.2
[M-H]- 272.16560 167.7
[M+Na-2H]- 294.14755 169.7
[M]+ 273.17233 168.4
[M]- 273.17343 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.