CID 3048361

Alpha-5,9-dimethyl-2'-hydroxy-2(n)-(p-methoxyphenethyl)-6,7-benzomorphan hydrobromide

Structural Information

Molecular Formula
C23H29NO2
SMILES
C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4=CC=C(C=C4)OC)C)C=C(C=C3)O
InChI
InChI=1S/C23H29NO2/c1-16-22-14-18-6-7-19(25)15-21(18)23(16,2)11-13-24(22)12-10-17-4-8-20(26-3)9-5-17/h4-9,15-16,22,25H,10-14H2,1-3H3/t16-,22-,23+/m0/s1
InChIKey
CSFSJDAQGVFZGZ-IRBZQWRBSA-N
Compound name
(1R,9S,13R)-10-[2-(4-methoxyphenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.8
[M+Na]+ 374.20904 195.2
[M-H]- 350.21254 192.2
[M+NH4]+ 369.25364 204.5
[M+K]+ 390.18298 189.1
[M+H-H2O]+ 334.21708 179.1
[M+HCOO]- 396.21802 200.7
[M+CH3COO]- 410.23367 197.3
[M+Na-2H]- 372.19449 191.8
[M]+ 351.21927 188.0
[M]- 351.22037 188.0
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.