PubChemLite - N-phenethylnoroxymorphone (C24H25NO4)

Structural Information

Molecular Formula

SMILES

C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CCC6=CC=CC=C6)[C@H](C1=O)OC5=C(C=C4)O)O

InChI

InChI=1S/C24H25NO4/c26-17-7-6-16-14-19-24(28)10-8-18(27)22-23(24,20(16)21(17)29-22)11-13-25(19)12-9-15-4-2-1-3-5-15/h1-7,19,22,26,28H,8-14H2/t19-,22+,23+,24-/m1/s1

InChIKey

NDHIGBQXQCVRAU-QLBRKBSLSA-N

Compound name

(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(2-phenylethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

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]+	392.18562	193.7
[M+Na]+	414.16756	206.1
[M+NH4]+	409.21216	205.5
[M+K]+	430.14150	196.3
[M-H]-	390.17106	198.5
[M+Na-2H]-	412.15301	196.9
[M]+	391.17779	197.2
[M]-	391.17889	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.18562

193.7

[M+Na]+

414.16756

206.1

[M+NH4]+

409.21216

205.5

[M+K]+

430.14150

196.3

[M-H]-

390.17106

198.5

[M+Na-2H]-

412.15301

196.9

[M]+

391.17779

197.2

[M]-

391.17889

197.2

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

N-phenethylnoroxymorphone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe