PubChemLite - Morphinan-3-ol, 17-(2-phenylbutyl)-, tartrate, (-)- (C26H33NO)

Structural Information

Molecular Formula

SMILES

CCC(CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C26H33NO/c1-2-19(20-8-4-3-5-9-20)18-27-15-14-26-13-7-6-10-23(26)25(27)16-21-11-12-22(28)17-24(21)26/h3-5,8-9,11-12,17,19,23,25,28H,2,6-7,10,13-16,18H2,1H3/t19?,23-,25+,26+/m0/s1

InChIKey

GKQVLWLDTFCIHQ-RMUHNOECSA-N

Compound name

(1R,9R,10R)-17-(2-phenylbutyl)-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]+	376.26351	195.7
[M+Na]+	398.24545	197.4
[M-H]-	374.24895	199.5
[M+NH4]+	393.29005	209.0
[M+K]+	414.21939	190.1
[M+H-H2O]+	358.25349	183.7
[M+HCOO]-	420.25443	202.9
[M+CH3COO]-	434.27008	201.5
[M+Na-2H]-	396.23090	196.4
[M]+	375.25568	187.6
[M]-	375.25678	187.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.26351

195.7

[M+Na]+

398.24545

197.4

[M-H]-

374.24895

199.5

[M+NH4]+

393.29005

209.0

[M+K]+

414.21939

190.1

[M+H-H2O]+

358.25349

183.7

[M+HCOO]-

420.25443

202.9

[M+CH3COO]-

434.27008

201.5

[M+Na-2H]-

396.23090

196.4

[M]+

375.25568

187.6

[M]-

375.25678

187.6

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-phenylbutyl)-, tartrate, (-)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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