PubChemLite - 65848-23-9 (C35H48N2O6)

Structural Information

Molecular Formula

SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OCC(=O)NCCO)O)C(C)(C)CC

InChI

InChI=1S/C35H48N2O6/c1-7-34(3,4)24-15-16-29(28(21-24)35(5,6)8-2)42-20-12-11-17-37-33(41)27-22-30(43-23-31(39)36-18-19-38)25-13-9-10-14-26(25)32(27)40/h9-10,13-16,21-22,38,40H,7-8,11-12,17-20,23H2,1-6H3,(H,36,39)(H,37,41)

InChIKey

NLUWKRMIQAHZIR-UHFFFAOYSA-N

Compound name

N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalene-2-carboxamide

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]+	593.35854	250.5
[M+Na]+	615.34048	250.0
[M-H]-	591.34398	253.2
[M+NH4]+	610.38508	252.2
[M+K]+	631.31442	246.7
[M+H-H2O]+	575.34852	240.3
[M+HCOO]-	637.34946	262.1
[M+CH3COO]-	651.36511	265.8
[M+Na-2H]-	613.32593	248.6
[M]+	592.35071	256.8
[M]-	592.35181	256.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.35854

250.5

[M+Na]+

615.34048

250.0

[M-H]-

591.34398

253.2

[M+NH4]+

610.38508

252.2

[M+K]+

631.31442

246.7

[M+H-H2O]+

575.34852

240.3

[M+HCOO]-

637.34946

262.1

[M+CH3COO]-

651.36511

265.8

[M+Na-2H]-

613.32593

248.6

[M]+

592.35071

256.8

[M]-

592.35181

256.8

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

65848-23-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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