CID 5486049

Morphinan, 17-(2-(p-anisyl)ethyl)-3-methoxy-, hydrochloride, (-)-

Structural Information

Molecular Formula
C26H33NO2
SMILES
COC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)OC
InChI
InChI=1S/C26H33NO2/c1-28-21-9-6-19(7-10-21)12-15-27-16-14-26-13-4-3-5-23(26)25(27)17-20-8-11-22(29-2)18-24(20)26/h6-11,18,23,25H,3-5,12-17H2,1-2H3/t23-,25+,26+/m0/s1
InChIKey
QETHAUXEBJJFJH-SKBVVQJISA-N
Compound name
(1R,9R,10R)-4-methoxy-17-[2-(4-methoxyphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.25113 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25841 199.7
[M+Na]+ 414.24035 202.7
[M-H]- 390.24385 205.1
[M+NH4]+ 409.28495 213.2
[M+K]+ 430.21429 196.5
[M+H-H2O]+ 374.24839 186.8
[M+HCOO]- 436.24933 209.5
[M+CH3COO]- 450.26498 206.3
[M+Na-2H]- 412.22580 201.1
[M]+ 391.25058 195.6
[M]- 391.25168 195.6
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.