PubChemLite - 2-naphthalenecarboxamide, 4-amino-1-hydroxy-n-(2-(3-pentadecylphenoxy)butyl)- (C36H52N2O3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)CNC(=O)C2=C(C3=CC=CC=C3C(=C2)N)O

InChI

InChI=1S/C36H52N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-28-21-19-22-30(25-28)41-29(4-2)27-38-36(40)33-26-34(37)31-23-17-18-24-32(31)35(33)39/h17-19,21-26,29,39H,3-16,20,27,37H2,1-2H3,(H,38,40)

InChIKey

ULDHYCSONIWQBX-UHFFFAOYSA-N

Compound name

4-amino-1-hydroxy-N-[2-(3-pentadecylphenoxy)butyl]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]+	561.40505	249.4
[M+Na]+	583.38699	247.9
[M-H]-	559.39049	251.7
[M+NH4]+	578.43159	252.7
[M+K]+	599.36093	240.6
[M+H-H2O]+	543.39503	237.5
[M+HCOO]-	605.39597	264.1
[M+CH3COO]-	619.41162	262.6
[M+Na-2H]-	581.37244	243.4
[M]+	560.39722	253.9
[M]-	560.39832	253.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

561.40505

249.4

[M+Na]+

583.38699

247.9

[M-H]-

559.39049

251.7

[M+NH4]+

578.43159

252.7

[M+K]+

599.36093

240.6

[M+H-H2O]+

543.39503

237.5

[M+HCOO]-

605.39597

264.1

[M+CH3COO]-

619.41162

262.6

[M+Na-2H]-

581.37244

243.4

[M]+

560.39722

253.9

[M]-

560.39832

253.9

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

2-naphthalenecarboxamide, 4-amino-1-hydroxy-n-(2-(3-pentadecylphenoxy)butyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe