CID 14061353

6,7,8,14-tetradehydro-3-methoxy-17-methylmorphinan-4-ol

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN1CC[C@]23CC=CC=C2[C@H]1CC4=C3C(=C(C=C4)OC)O
InChI
InChI=1S/C18H21NO2/c1-19-10-9-18-8-4-3-5-13(18)14(19)11-12-6-7-15(21-2)17(20)16(12)18/h3-7,14,20H,8-11H2,1-2H3/t14-,18-/m1/s1
InChIKey
ONYKSPDQQPOMEU-RDTXWAMCSA-N
Compound name
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,12-pentaen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.1
[M+Na]+ 306.146448 174.5
[M-H]- 282.149954 170.4
[M+NH4]+ 301.191053 185.7
[M+K]+ 322.120388 169.4
[M+H-H2O]+ 266.154490 158.2
[M+HCOO]- 328.155431 180.2
[M+CH3COO]- 342.171081 177.3
[M+Na-2H]- 304.131896 172.8
[M]+ 283.15668142 164.8
[M]- 283.15777858 164.8
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.