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 165.1
[M+Na]+ 296.16210 172.6
[M-H]- 272.16560 167.1
[M+NH4]+ 291.20670 185.1
[M+K]+ 312.13604 169.0
[M+H-H2O]+ 256.17014 158.0
[M+HCOO]- 318.17108 178.6
[M+CH3COO]- 332.18673 203.5
[M+Na-2H]- 294.14755 169.3
[M]+ 273.17233 165.1
[M]- 273.17343 165.1
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.