PubChemLite - Genevant cl1 (C39H73NO2)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\CCCC(C(OC(=O)CCCCN(C)C)CCC/C=C\CCCCC)CCC/C=C\CCCCC

InChI

InChI=1S/C39H73NO2/c1-6-9-12-15-18-21-24-27-32-37(33-28-25-22-19-16-13-10-7-2)38(34-29-26-23-20-17-14-11-8-3)42-39(41)35-30-31-36-40(4)5/h18-23,37-38H,6-17,24-36H2,1-5H3/b21-18-,22-19-,23-20-

InChIKey

ARJCMRWHZPDQJG-ASSJVFBPSA-N

Compound name

[(6Z,16Z)-12-[(Z)-dec-4-enyl]docosa-6,16-dien-11-yl] 5-(dimethylamino)pentanoate

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]+	588.57143	266.4
[M+Na]+	610.55337	270.5
[M+NH4]+	605.59797	268.1
[M+K]+	626.52731	269.0
[M-H]-	586.55687	253.7
[M+Na-2H]-	608.53882	265.8
[M]+	587.56360	263.8
[M]-	587.56470	263.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

588.57143

266.4

[M+Na]+

610.55337

270.5

[M+NH4]+

605.59797

268.1

[M+K]+

626.52731

269.0

[M-H]-

586.55687

253.7

[M+Na-2H]-

608.53882

265.8

[M]+

587.56360

263.8

[M]-

587.56470

263.8

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

Genevant cl1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe