PubChemLite - 17170-66-0 (C33H48N2O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN(CC)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C2(C)C)C

InChI

InChI=1S/C33H48N2O3/c1-7-34(8-2)22-23-35(9-3)24-27-28-20-21-32(6,31(28,4)5)29(27)38-30(36)33(37,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,27-29,37H,7-9,20-24H2,1-6H3

InChIKey

WOKDVKWDLGSMRD-UHFFFAOYSA-N

Compound name

[3-[[2-(diethylamino)ethyl-ethylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate

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]+	521.37378	233.8
[M+Na]+	543.35572	234.3
[M-H]-	519.35922	242.3
[M+NH4]+	538.40032	248.3
[M+K]+	559.32966	231.1
[M+H-H2O]+	503.36376	226.2
[M+HCOO]-	565.36470	249.2
[M+CH3COO]-	579.38035	255.6
[M+Na-2H]-	541.34117	230.5
[M]+	520.36595	238.2
[M]-	520.36705	238.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.37378

233.8

[M+Na]+

543.35572

234.3

[M-H]-

519.35922

242.3

[M+NH4]+

538.40032

248.3

[M+K]+

559.32966

231.1

[M+H-H2O]+

503.36376

226.2

[M+HCOO]-

565.36470

249.2

[M+CH3COO]-

579.38035

255.6

[M+Na-2H]-

541.34117

230.5

[M]+

520.36595

238.2

[M]-

520.36705

238.2

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

17170-66-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe