CID 5486036

Morphinan-3,4-diol, 17-methyl-

Structural Information

Molecular Formula
C17H23NO2
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C(=C(C=C4)O)O
InChI
InChI=1S/C17H23NO2/c1-18-9-8-17-7-3-2-4-12(17)13(18)10-11-5-6-14(19)16(20)15(11)17/h5-6,12-13,19-20H,2-4,7-10H2,1H3/t12-,13+,17+/m0/s1
InChIKey
VCPXRQXUZJVACG-OGHNNQOOSA-N
Compound name
(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.4
[M+Na]+ 296.162098 170.8
[M-H]- 272.165604 166.6
[M+NH4]+ 291.206703 183.6
[M+K]+ 312.136038 165.4
[M+H-H2O]+ 256.170140 157.2
[M+HCOO]- 318.171081 174.3
[M+CH3COO]- 332.186731 174.2
[M+Na-2H]- 294.147546 169.2
[M]+ 273.17233142 158.2
[M]- 273.17342858 158.2
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

patents stripe