CID 6602247

(-)-17-(3,4,5-trimethoxyphenethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C27H35NO4
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI
InChI=1S/C27H35NO4/c1-30-24-14-18(15-25(31-2)26(24)32-3)9-12-28-13-11-27-10-5-4-6-21(27)23(28)16-19-7-8-20(29)17-22(19)27/h7-8,14-15,17,21,23,29H,4-6,9-13,16H2,1-3H3/t21-,23+,27+/m0/s1
InChIKey
CYRWLQIBNVIATA-VBANMALSSA-N
Compound name
(1R,9R,10R)-17-[2-(3,4,5-trimethoxyphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.25662 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.26390 210.3
[M+Na]+ 460.24584 213.9
[M-H]- 436.24934 214.9
[M+NH4]+ 455.29044 221.7
[M+K]+ 476.21978 208.6
[M+H-H2O]+ 420.25388 198.0
[M+HCOO]- 482.25482 218.4
[M+CH3COO]- 496.27047 216.3
[M+Na-2H]- 458.23129 210.2
[M]+ 437.25607 208.8
[M]- 437.25717 208.8
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.