CID 6602273

Morphinan-2-ol, 17-methyl-, hydrobromide

Structural Information

Molecular Formula
C17H23NO
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=CC(=C4)O
InChI
InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-15(17)16(18)11-12-10-13(19)5-6-14(12)17/h5-6,10,15-16,19H,2-4,7-9,11H2,1H3/t15-,16+,17-/m0/s1
InChIKey
OEGSSWBTYVPHRM-BBWFWOEESA-N
Compound name
(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.17798 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 161.8
[M+Na]+ 280.167198 166.8
[M-H]- 256.170704 164.0
[M+NH4]+ 275.211803 181.1
[M+K]+ 296.141138 161.4
[M+H-H2O]+ 240.175240 152.9
[M+HCOO]- 302.176181 172.1
[M+CH3COO]- 316.191831 171.1
[M+Na-2H]- 278.152646 166.4
[M]+ 257.17743142 154.4
[M]- 257.17852858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe