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 171.6
[M+Na]+ 391.17406 176.9
[M-H]- 367.17756 178.1
[M+NH4]+ 386.21866 184.2
[M+K]+ 407.14800 168.3
[M+H-H2O]+ 351.18210 167.5
[M+HCOO]- 413.18304 183.3
[M+CH3COO]- 427.19869 220.4
[M+Na-2H]- 389.15951 180.7
[M]+ 368.18429 169.6
[M]- 368.18539 169.6
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.