PubChemLite - 71216-01-8 (C34H56N4O4)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)COCCCNC(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)NCCCOCC(CC)CCCC

InChI

InChI=1S/C34H56N4O4/c1-5-9-15-27(7-3)25-41-23-13-21-35-33(39)37-31-19-11-18-30-29(31)17-12-20-32(30)38-34(40)36-22-14-24-42-26-28(8-4)16-10-6-2/h11-12,17-20,27-28H,5-10,13-16,21-26H2,1-4H3,(H2,35,37,39)(H2,36,38,40)

InChIKey

NZJJSYLOGZGJHU-UHFFFAOYSA-N

Compound name

1-[3-(2-ethylhexoxy)propyl]-3-[5-[3-(2-ethylhexoxy)propylcarbamoylamino]naphthalen-1-yl]urea

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]+	585.43748	254.2
[M+Na]+	607.41942	257.1
[M+NH4]+	602.46402	255.8
[M+K]+	623.39336	250.0
[M-H]-	583.42292	255.3
[M+Na-2H]-	605.40487	252.9
[M]+	584.42965	254.1
[M]-	584.43075	254.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

585.43748

254.2

[M+Na]+

607.41942

257.1

[M+NH4]+

602.46402

255.8

[M+K]+

623.39336

250.0

[M-H]-

583.42292

255.3

[M+Na-2H]-

605.40487

252.9

[M]+

584.42965

254.1

[M]-

584.43075

254.1

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

71216-01-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe