CID 6603912

(+)-3-methoxymorphinan

Structural Information

Molecular Formula
C17H23NO
SMILES
COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3)C=C1
InChI
InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
InChIKey
ILNSWVUXAPSPEH-PVAVHDDUSA-N
Compound name
(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

142
Patents

257.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 161.5
[M+Na]+ 280.167198 165.5
[M-H]- 256.170704 163.3
[M+NH4]+ 275.211803 180.4
[M+K]+ 296.141138 160.1
[M+H-H2O]+ 240.175240 152.4
[M+HCOO]- 302.176181 171.9
[M+CH3COO]- 316.191831 170.4
[M+Na-2H]- 278.152646 166.8
[M]+ 257.17743142 153.7
[M]- 257.17852858 153.7
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