PubChemLite - 150919-56-5 (C37H60N4O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(NC2=O)(C)C

InChI

InChI=1S/C37H60N4O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(42)38-27-24-25-29(47-7)28(26-27)39-33(44)31(32(43)36(2,3)4)41-34(45)37(5,6)40-35(41)46/h24-26,31H,8-23H2,1-7H3,(H,38,42)(H,39,44)(H,40,46)

InChIKey

JDIUCAYZFZBZRQ-UHFFFAOYSA-N

Compound name

N-[3-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]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]+	657.45858	263.4
[M+Na]+	679.44052	260.5
[M-H]-	655.44402	252.4
[M+NH4]+	674.48512	258.2
[M+K]+	695.41446	256.8
[M+H-H2O]+	639.44856	254.7
[M+HCOO]-	701.44950	258.6
[M+CH3COO]-	715.46515	278.8
[M+Na-2H]-	677.42597	253.8
[M]+	656.45075	246.9
[M]-	656.45185	246.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

657.45858

263.4

[M+Na]+

679.44052

260.5

[M-H]-

655.44402

252.4

[M+NH4]+

674.48512

258.2

[M+K]+

695.41446

256.8

[M+H-H2O]+

639.44856

254.7

[M+HCOO]-

701.44950

258.6

[M+CH3COO]-

715.46515

278.8

[M+Na-2H]-

677.42597

253.8

[M]+

656.45075

246.9

[M]-

656.45185

246.9

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

150919-56-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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