PubChemLite - 477327-64-3 (C32H34O2)

Structural Information

Molecular Formula

SMILES

CCCC1CCC(CC1)C2COC3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)OC2

InChI

InChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3

InChIKey

PEDJXJZUJMTWBB-UHFFFAOYSA-N

Compound name

14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

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]+	451.26318	212.3
[M+Na]+	473.24512	205.3
[M-H]-	449.24862	208.6
[M+NH4]+	468.28972	208.8
[M+K]+	489.21906	207.1
[M+H-H2O]+	433.25316	200.2
[M+HCOO]-	495.25410	209.1
[M+CH3COO]-	509.26975	209.4
[M+Na-2H]-	471.23057	209.6
[M]+	450.25535	208.8
[M]-	450.25645	208.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.26318

212.3

[M+Na]+

473.24512

205.3

[M-H]-

449.24862

208.6

[M+NH4]+

468.28972

208.8

[M+K]+

489.21906

207.1

[M+H-H2O]+

433.25316

200.2

[M+HCOO]-

495.25410

209.1

[M+CH3COO]-

509.26975

209.4

[M+Na-2H]-

471.23057

209.6

[M]+

450.25535

208.8

[M]-

450.25645

208.8

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

477327-64-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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