CID 5745681

Benzyldihydrodesoxymorphine-d

Structural Information

Molecular Formula
C24H27NO2
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCC6=CC=CC=C6)O[C@H]3CCC4
InChI
InChI=1S/C24H27NO2/c1-25-13-12-24-18-8-5-9-21(24)27-23-20(26-15-16-6-3-2-4-7-16)11-10-17(22(23)24)14-19(18)25/h2-4,6-7,10-11,18-19,21H,5,8-9,12-15H2,1H3/t18-,19+,21-,24+/m0/s1
InChIKey
RLNXZCRXJHNVQY-FPRSRYDQSA-N
Compound name
(4R,4aR,7aS,12bS)-3-methyl-9-phenylmethoxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 188.7
[M+Na]+ 384.19342 202.8
[M+NH4]+ 379.23802 201.2
[M+K]+ 400.16736 192.9
[M-H]- 360.19692 195.7
[M+Na-2H]- 382.17887 192.6
[M]+ 361.20365 193.1
[M]- 361.20475 193.1
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

No patent data available for this compound.