PubChemLite - Morphinan-3-ol, 17-(2-(o-(4-methoxy)tolyl)ethyl)-, hydrochloride, (-)- (C26H33NO2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OC)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O

InChI

InChI=1S/C26H33NO2/c1-18-15-22(29-2)9-7-19(18)10-13-27-14-12-26-11-4-3-5-23(26)25(27)16-20-6-8-21(28)17-24(20)26/h6-9,15,17,23,25,28H,3-5,10-14,16H2,1-2H3/t23-,25+,26+/m0/s1

InChIKey

UYSHDUFHYWERRW-SKBVVQJISA-N

Compound name

(1R,9R,10R)-17-[2-(4-methoxy-2-methylphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-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]+	392.25841	199.9
[M+Na]+	414.24035	203.6
[M-H]-	390.24385	204.5
[M+NH4]+	409.28495	213.2
[M+K]+	430.21429	196.7
[M+H-H2O]+	374.24839	187.9
[M+HCOO]-	436.24933	208.2
[M+CH3COO]-	450.26498	206.4
[M+Na-2H]-	412.22580	200.5
[M]+	391.25058	194.7
[M]-	391.25168	194.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.25841

199.9

[M+Na]+

414.24035

203.6

[M-H]-

390.24385

204.5

[M+NH4]+

409.28495

213.2

[M+K]+

430.21429

196.7

[M+H-H2O]+

374.24839

187.9

[M+HCOO]-

436.24933

208.2

[M+CH3COO]-

450.26498

206.4

[M+Na-2H]-

412.22580

200.5

[M]+

391.25058

194.7

[M]-

391.25168

194.7

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

Morphinan-3-ol, 17-(2-(o-(4-methoxy)tolyl)ethyl)-, hydrochloride, (-)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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