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]+ 284.16451 167.1
[M+Na]+ 306.14645 174.5
[M-H]- 282.14995 170.4
[M+NH4]+ 301.19105 185.7
[M+K]+ 322.12039 169.4
[M+H-H2O]+ 266.15449 158.2
[M+HCOO]- 328.15543 180.2
[M+CH3COO]- 342.17108 177.3
[M+Na-2H]- 304.13190 172.8
[M]+ 283.15668 164.8
[M]- 283.15778 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.