CID 3068854

2-(2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethoxy)acetic acid

Structural Information

Molecular Formula
C23H29ClN2O4
SMILES
C1CN(CCN1CCOCCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O4/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)26-12-10-25(11-13-26)14-15-29-16-17-30-18-22(27)28/h1-9,23H,10-18H2,(H,27,28)
InChIKey
AIOFDOGAYXDHHG-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

432.18158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18886 202.0
[M+Na]+ 455.17080 203.9
[M-H]- 431.17430 205.4
[M+NH4]+ 450.21540 207.7
[M+K]+ 471.14474 198.3
[M+H-H2O]+ 415.17884 190.6
[M+HCOO]- 477.17978 210.4
[M+CH3COO]- 491.19543 223.5
[M+Na-2H]- 453.15625 200.6
[M]+ 432.18103 203.0
[M]- 432.18213 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe