CID 5745391

N-allyl-14-hydroxynorazidomorphine

Structural Information

Molecular Formula
C19H22N4O3
SMILES
C=CCN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)N=[N+]=[N-]
InChI
InChI=1S/C19H22N4O3/c1-2-8-23-9-7-18-15-11-3-4-13(24)16(15)26-17(18)12(21-22-20)5-6-19(18,25)14(23)10-11/h2-4,12,14,17,24-25H,1,5-10H2/t12-,14-,17+,18+,19-/m1/s1
InChIKey
XGQNCZQGIYDNIE-UPQOXJCWSA-N
Compound name
(4R,4aS,7R,7aR,12bS)-7-azido-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 179.8
[M+Na]+ 377.15842 189.9
[M+NH4]+ 372.20302 191.1
[M+K]+ 393.13236 183.0
[M-H]- 353.16192 184.9
[M+Na-2H]- 375.14387 181.6
[M]+ 354.16865 182.7
[M]- 354.16975 182.7
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.