N-cyclopropylmethylnorazidomorphine (C20H24N4O2)

Structural Information

Molecular Formula

SMILES

C1C[C@H]([C@@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)N(CC4)CC6CC6)N=[N+]=[N-]

InChI

InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1

InChIKey

ACIDOKFIOLLVDB-MBNVHVTPSA-N

Compound name

(4R,4aR,7R,7aS,12bS)-7-azido-3-(cyclopropylmethyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.197176	170.4
[M+Na]+	375.179118	175.2
[M-H]-	351.182624	177.9
[M+NH4]+	370.223723	182.3
[M+K]+	391.153058	166.0
[M+H-H2O]+	335.187160	165.4
[M+HCOO]-	397.188101	183.7
[M+CH3COO]-	411.203751	221.0
[M+Na-2H]-	373.164566	178.1
[M]+	352.18935142	167.7
[M]-	352.19044858	167.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.197176

170.4

[M+Na]+

375.179118

175.2

[M-H]-

351.182624

177.9

[M+NH4]+

370.223723

182.3

[M+K]+

391.153058

166.0

[M+H-H2O]+

335.187160

165.4

[M+HCOO]-

397.188101

183.7

[M+CH3COO]-

411.203751

221.0

[M+Na-2H]-

373.164566

178.1

[M]+

352.18935142

167.7

[M]-

352.19044858

167.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-cyclopropylmethylnorazidomorphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe