CID 5745476

N-allylnorazidomorphine

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C=CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@@H](CC4)N=[N+]=[N-]
InChI
InChI=1S/C19H22N4O2/c1-2-8-23-9-7-19-12-4-5-13(21-22-20)18(19)25-17-15(24)6-3-11(16(17)19)10-14(12)23/h2-3,6,12-14,18,24H,1,4-5,7-10H2/t12-,13+,14+,18-,19-/m0/s1
InChIKey
KHCJBMKFZGHMQV-WVVQHKAJSA-N
Compound name
(4R,4aR,7R,7aR,12bS)-7-azido-3-prop-2-enyl-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

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 177.3
[M+Na]+ 361.16352 188.4
[M+NH4]+ 356.20812 188.1
[M+K]+ 377.13746 182.3
[M-H]- 337.16702 183.5
[M+Na-2H]- 359.14897 178.6
[M]+ 338.17375 180.5
[M]- 338.17485 180.5
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.