PubChemLite - Bis(2-(2-(heptan-3-yl)oxazolidin-3-yl)ethyl) hexane-1,6-diyldicarbamate (C32H62N4O6)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)C1N(CCO1)CCOC(=O)NCCCCCCNC(=O)OCCN2CCOC2C(CC)CCCC

InChI

InChI=1S/C32H62N4O6/c1-5-9-15-27(7-3)29-35(19-23-39-29)21-25-41-31(37)33-17-13-11-12-14-18-34-32(38)42-26-22-36-20-24-40-30(36)28(8-4)16-10-6-2/h27-30H,5-26H2,1-4H3,(H,33,37)(H,34,38)

InChIKey

GLHIIWCTJKBGGM-UHFFFAOYSA-N

Compound name

2-(2-heptan-3-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[2-(2-heptan-3-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate

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]+	599.47418	259.8
[M+Na]+	621.45612	253.0
[M-H]-	597.45962	261.0
[M+NH4]+	616.50072	259.5
[M+K]+	637.43006	252.8
[M+H-H2O]+	581.46416	249.2
[M+HCOO]-	643.46510	268.9
[M+CH3COO]-	657.48075	265.2
[M+Na-2H]-	619.44157	247.9
[M]+	598.46635	266.7
[M]-	598.46745	266.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.47418

259.8

[M+Na]+

621.45612

253.0

[M-H]-

597.45962

261.0

[M+NH4]+

616.50072

259.5

[M+K]+

637.43006

252.8

[M+H-H2O]+

581.46416

249.2

[M+HCOO]-

643.46510

268.9

[M+CH3COO]-

657.48075

265.2

[M+Na-2H]-

619.44157

247.9

[M]+

598.46635

266.7

[M]-

598.46745

266.7

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

Bis(2-(2-(heptan-3-yl)oxazolidin-3-yl)ethyl) hexane-1,6-diyldicarbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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