CID 21720

Xenysalate

Structural Information

Molecular Formula

C₁₉H₂₃NO₃

SMILES

CCN(CC)CCOC(=O)C1=CC=CC(=C1O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3

InChIKey

HLDCSYXMVXILQC-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4997
Patents: 313.1678 Da
Monoisotopic Mass: 4.4
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]+	314.17508	176.2
[M+Na]+	336.15702	188.5
[M+NH4]+	331.20162	183.2
[M+K]+	352.13096	181.4
[M-H]-	312.16052	180.3
[M+Na-2H]-	334.14247	183.6
[M]+	313.16725	179.0
[M]-	313.16835	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe