PubChemLite - 40541-07-9 (C32H60N6O4)

Structural Information

Molecular Formula

SMILES

CCCCN(CCN(CCCC)C(=O)N1CCCC(C1)C(=O)N(CC)CC)C(=O)N2CCCC(C2)C(=O)N(CC)CC

InChI

InChI=1S/C32H60N6O4/c1-7-13-19-35(31(41)37-21-15-17-27(25-37)29(39)33(9-3)10-4)23-24-36(20-14-8-2)32(42)38-22-16-18-28(26-38)30(40)34(11-5)12-6/h27-28H,7-26H2,1-6H3

InChIKey

CUJDBEXTPXTNFT-UHFFFAOYSA-N

Compound name

1-N-butyl-1-N-[2-[butyl-[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]ethyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

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]+	593.47488	251.8
[M+Na]+	615.45682	243.9
[M-H]-	591.46032	256.2
[M+NH4]+	610.50142	252.5
[M+K]+	631.43076	245.7
[M+H-H2O]+	575.46486	239.5
[M+HCOO]-	637.46580	262.8
[M+CH3COO]-	651.48145	282.1
[M+Na-2H]-	613.44227	240.1
[M]+	592.46705	252.9
[M]-	592.46815	252.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.47488

251.8

[M+Na]+

615.45682

243.9

[M-H]-

591.46032

256.2

[M+NH4]+

610.50142

252.5

[M+K]+

631.43076

245.7

[M+H-H2O]+

575.46486

239.5

[M+HCOO]-

637.46580

262.8

[M+CH3COO]-

651.48145

282.1

[M+Na-2H]-

613.44227

240.1

[M]+

592.46705

252.9

[M]-

592.46815

252.9

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

40541-07-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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