PubChemLite - 210706-50-6 (C38H60N2O8)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC(C)C)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(OC2=O)(C)C

InChI

InChI=1S/C38H60N2O8/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-46-34(43)28-23-24-30(47-27(2)3)29(26-28)39-33(42)31(32(41)37(4,5)6)40-35(44)38(7,8)48-36(40)45/h23-24,26-27,31H,9-22,25H2,1-8H3,(H,39,42)

InChIKey

OFNQIOIGFHZHSY-UHFFFAOYSA-N

Compound name

hexadecyl 3-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-propan-2-yloxybenzoate

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]+	673.44222	249.7
[M+Na]+	695.42416	265.0
[M-H]-	671.42766	254.5
[M+NH4]+	690.46876	265.2
[M+K]+	711.39810	261.2
[M+H-H2O]+	655.43220	258.7
[M+HCOO]-	717.43314	263.5
[M+CH3COO]-	731.44879	281.0
[M+Na-2H]-	693.40961	238.8
[M]+	672.43439	252.8
[M]-	672.43549	252.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.44222

249.7

[M+Na]+

695.42416

265.0

[M-H]-

671.42766

254.5

[M+NH4]+

690.46876

265.2

[M+K]+

711.39810

261.2

[M+H-H2O]+

655.43220

258.7

[M+HCOO]-

717.43314

263.5

[M+CH3COO]-

731.44879

281.0

[M+Na-2H]-

693.40961

238.8

[M]+

672.43439

252.8

[M]-

672.43549

252.8

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

210706-50-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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