CID 5489191

N-cyclopropylmethylnorazidomorphine

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C1C[C@H]([C@@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)N(CC4)CC6CC6)N=[N+]=[N-]
InChI
InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1
InChIKey
ACIDOKFIOLLVDB-MBNVHVTPSA-N
Compound name
(4R,4aR,7R,7aS,12bS)-7-azido-3-(cyclopropylmethyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

352.1899 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 179.3
[M+Na]+ 375.17912 192.6
[M+NH4]+ 370.22372 191.4
[M+K]+ 391.15306 187.6
[M-H]- 351.18262 194.3
[M+Na-2H]- 373.16457 184.6
[M]+ 352.18935 186.6
[M]- 352.19045 186.6
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

No patent data available for this compound.