CID 3076079

Brn 3624621

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₄

SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCNC(=O)C2=CC=CC=C2O)O

InChI

InChI=1S/C19H22N2O4/c22-16-10-4-2-8-14(16)18(24)20-12-6-1-7-13-21-19(25)15-9-3-5-11-17(15)23/h2-5,8-11,22-23H,1,6-7,12-13H2,(H,20,24)(H,21,25)

InChIKey

PYVNJYHJVKTEIL-UHFFFAOYSA-N

Compound name

2-hydroxy-N-[5-[(2-hydroxybenzoyl)amino]pentyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 342.15796 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

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]+	343.165236	181.1
[M+Na]+	365.147178	184.3
[M-H]-	341.150684	184.4
[M+NH4]+	360.191783	191.9
[M+K]+	381.121118	180.1
[M+H-H2O]+	325.155220	172.3
[M+HCOO]-	387.156161	201.9
[M+CH3COO]-	401.171811	212.0
[M+Na-2H]-	363.132626	182.6
[M]+	342.15741142	180.4
[M]-	342.15850858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe