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]+ 339.181576 172.9
[M+Na]+ 361.163518 176.5
[M-H]- 337.167024 177.4
[M+NH4]+ 356.208123 190.4
[M+K]+ 377.137458 167.5
[M+H-H2O]+ 321.171560 167.7
[M+HCOO]- 383.172501 187.5
[M+CH3COO]- 397.188151 217.0
[M+Na-2H]- 359.148966 180.9
[M]+ 338.17375142 168.0
[M]- 338.17484858 168.0
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.