CID 5745569

N-cyclopropylmethyl-14-hydroxynorazidomorphine

Structural Information

Molecular Formula
C20H24N4O3
SMILES
C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1N=[N+]=[N-])OC5=C(C=C4)O)O
InChI
InChI=1S/C20H24N4O3/c21-23-22-13-5-6-20(26)15-9-12-3-4-14(25)17-16(12)19(20,18(13)27-17)7-8-24(15)10-11-1-2-11/h3-4,11,13,15,18,25-26H,1-2,5-10H2/t13-,15-,18+,19+,20-/m1/s1
InChIKey
JDCYLSNERKRAJA-GNUVVZJLSA-N
Compound name
(4R,4aS,7R,7aR,12bS)-7-azido-3-(cyclopropylmethyl)-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

368.18484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 183.0
[M+Na]+ 391.17406 195.6
[M+NH4]+ 386.21866 195.7
[M+K]+ 407.14800 189.6
[M-H]- 367.17756 197.2
[M+Na-2H]- 389.15951 188.9
[M]+ 368.18429 190.2
[M]- 368.18539 190.2
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.