CID 3068840

Cetirizine amide

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
C1CN(CCN1CCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClN3O2/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)25-12-10-24(11-13-25)14-15-27-16-20(23)26/h1-9,21H,10-16H2,(H2,23,26)
InChIKey
LVJDQBJDVOYDLA-UHFFFAOYSA-N
Compound name
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

138
Patents

387.17136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 193.5
[M+Na]+ 410.16058 206.1
[M+NH4]+ 405.20518 200.2
[M+K]+ 426.13452 198.1
[M-H]- 386.16408 198.5
[M+Na-2H]- 408.14603 201.1
[M]+ 387.17081 196.9
[M]- 387.17191 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe