PubChemLite - Telratolimod (C36H59N5O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCCON1C(=NC2=C1C3=CC=CC=C3N=C2N)CCCC

InChI

InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-27-33(42)38-28-22-23-29-43-41-32(26-6-4-2)40-34-35(41)30-24-20-21-25-31(30)39-36(34)37/h20-21,24-25H,3-19,22-23,26-29H2,1-2H3,(H2,37,39)(H,38,42)

InChIKey

RRTPWQXEERTRRK-UHFFFAOYSA-N

Compound name

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide

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]+	594.47414	258.5
[M+Na]+	616.45608	258.5
[M-H]-	592.45958	256.3
[M+NH4]+	611.50068	260.6
[M+K]+	632.43002	249.8
[M+H-H2O]+	576.46412	245.4
[M+HCOO]-	638.46506	272.3
[M+CH3COO]-	652.48071	270.2
[M+Na-2H]-	614.44153	253.7
[M]+	593.46631	268.9
[M]-	593.46741	268.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

594.47414

258.5

[M+Na]+

616.45608

258.5

[M-H]-

592.45958

256.3

[M+NH4]+

611.50068

260.6

[M+K]+

632.43002

249.8

[M+H-H2O]+

576.46412

245.4

[M+HCOO]-

638.46506

272.3

[M+CH3COO]-

652.48071

270.2

[M+Na-2H]-

614.44153

253.7

[M]+

593.46631

268.9

[M]-

593.46741

268.9

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

Telratolimod

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe