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]+ 274.180156 165.1
[M+Na]+ 296.162098 172.6
[M-H]- 272.165604 167.1
[M+NH4]+ 291.206703 185.1
[M+K]+ 312.136038 169.0
[M+H-H2O]+ 256.170140 158.0
[M+HCOO]- 318.171081 178.6
[M+CH3COO]- 332.186731 203.5
[M+Na-2H]- 294.147546 169.3
[M]+ 273.17233142 165.1
[M]- 273.17342858 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.