CID 173772

Component 3g-2

Structural Information

Molecular Formula

C₂₈H₂₇NO₃

SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4C=C3)O

InChI

InChI=1S/C28H27NO3/c1-4-28(2,3)20-10-14-22(15-11-20)32-23-16-12-21(13-17-23)29-27(31)25-18-9-19-7-5-6-8-24(19)26(25)30/h5-18,30H,4H2,1-3H3,(H,29,31)

InChIKey

AKXJAFSMLGDBFW-UHFFFAOYSA-N

Compound name

1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 425.1991 Da
Monoisotopic Mass: 7.9
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]+	426.206376	206.3
[M+Na]+	448.188318	211.4
[M-H]-	424.191824	215.0
[M+NH4]+	443.232923	215.5
[M+K]+	464.162258	205.4
[M+H-H2O]+	408.196360	195.8
[M+HCOO]-	470.197301	224.0
[M+CH3COO]-	484.212951	230.8
[M+Na-2H]-	446.173766	209.3
[M]+	425.19855142	207.2
[M]-	425.19964858	207.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe