CID 5462508

Normorphine

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O
InChI
InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1
InChIKey
ONBWJWYUHXVEJS-ZTYRTETDSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

194
References

9832
Patents

271.12085 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 160.4
[M+Na]+ 294.11007 172.0
[M+NH4]+ 289.15467 171.6
[M+K]+ 310.08401 165.6
[M-H]- 270.11357 163.0
[M+Na-2H]- 292.09552 161.3
[M]+ 271.12030 162.9
[M]- 271.12140 162.9
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