PubChemLite - Ethyketazocine (C19H25NO2)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCN([C@H]([C@H]1C)C(=O)C3=C2C=C(C=C3)O)CC4CC4

InChI

InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m1/s1

InChIKey

SEJUQQOPVAUETF-QHLBDZCJSA-N

Compound name

(1R,9R,13S)-10-(cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-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]+	300.19582	176.5
[M+Na]+	322.17776	185.5
[M-H]-	298.18126	180.7
[M+NH4]+	317.22236	189.9
[M+K]+	338.15170	179.7
[M+H-H2O]+	282.18580	169.1
[M+HCOO]-	344.18674	188.5
[M+CH3COO]-	358.20239	185.9
[M+Na-2H]-	320.16321	179.4
[M]+	299.18799	177.7
[M]-	299.18909	177.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

300.19582

176.5

[M+Na]+

322.17776

185.5

[M-H]-

298.18126

180.7

[M+NH4]+

317.22236

189.9

[M+K]+

338.15170

179.7

[M+H-H2O]+

282.18580

169.1

[M+HCOO]-

344.18674

188.5

[M+CH3COO]-

358.20239

185.9

[M+Na-2H]-

320.16321

179.4

[M]+

299.18799

177.7

[M]-

299.18909

177.7

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

Ethyketazocine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe