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 174.1
[M+Na]+ 377.15842 178.3
[M-H]- 353.16192 177.5
[M+NH4]+ 372.20302 192.2
[M+K]+ 393.13236 169.3
[M+H-H2O]+ 337.16646 169.3
[M+HCOO]- 399.16740 187.2
[M+CH3COO]- 413.18305 216.4
[M+Na-2H]- 375.14387 183.5
[M]+ 354.16865 169.5
[M]- 354.16975 169.5
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.