CID 202749

2-piperidinoethyl xanthene-9-acetate hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

C1CCN(CC1)CCOC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C22H25NO3/c24-22(25-15-14-23-12-6-1-7-13-23)16-19-17-8-2-4-10-20(17)26-21-11-5-3-9-18(19)21/h2-5,8-11,19H,1,6-7,12-16H2

InChIKey

WOBKDYNRGCOHIJ-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2-(9H-xanthen-9-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.18344 Da
Monoisotopic Mass: 3.9
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]+	352.190716	184.1
[M+Na]+	374.172658	187.3
[M-H]-	350.176164	189.5
[M+NH4]+	369.217263	195.2
[M+K]+	390.146598	183.5
[M+H-H2O]+	334.180700	173.3
[M+HCOO]-	396.181641	196.7
[M+CH3COO]-	410.197291	192.2
[M+Na-2H]-	372.158106	187.8
[M]+	351.18289142	181.8
[M]-	351.18398858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.