CID 53651410

Cetirizine impurity c

Structural Information

Molecular Formula

C₂₁H₂₅ClN₂O₃

SMILES

C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O3/c22-19-9-5-4-8-18(19)21(17-6-2-1-3-7-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

InChIKey

AMWZYEYIOPBLEO-UHFFFAOYSA-N

Compound name

2-[2-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 388.15536 Da
Monoisotopic Mass: 1.7
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]+	389.162636	191.2
[M+Na]+	411.144578	194.3
[M-H]-	387.148084	195.0
[M+NH4]+	406.189183	198.9
[M+K]+	427.118518	188.3
[M+H-H2O]+	371.152620	180.4
[M+HCOO]-	433.153561	200.1
[M+CH3COO]-	447.169211	215.6
[M+Na-2H]-	409.130026	190.6
[M]+	388.15481142	190.2
[M]-	388.15590858	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe