CID 5492874

6-methylenedihydroepoxymorphine

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=C)CC4

InChI

InChI=1S/C18H21NO2/c1-10-3-5-12-13-9-11-4-6-14(20)16-15(11)18(12,17(10)21-16)7-8-19(13)2/h4,6,12-13,17,20H,1,3,5,7-9H2,2H3/t12-,13+,17-,18-/m0/s1

InChIKey

LBCZKDPFDXFDTN-GGNLRSJOSA-N

Compound name

(4R,4aR,7aS,12bS)-3-methyl-7-methylidene-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 283.15723 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.164506	165.5
[M+Na]+	306.146448	172.2
[M-H]-	282.149954	168.4
[M+NH4]+	301.191053	185.9
[M+K]+	322.120388	167.2
[M+H-H2O]+	266.154490	157.5
[M+HCOO]-	328.155431	173.9
[M+CH3COO]-	342.171081	175.2
[M+Na-2H]-	304.131896	168.5
[M]+	283.15668142	162.3
[M]-	283.15777858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe