CID 3046254

4-(2-(p-chlorophenyl-phenylmethoxy)ethyl)-1-piperazinepropionic acid dimaleate

Structural Information

Molecular Formula
C22H27ClN2O3
SMILES
C1CN(CCN1CCC(=O)O)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H27ClN2O3/c23-20-8-6-19(7-9-20)22(18-4-2-1-3-5-18)28-17-16-25-14-12-24(13-15-25)11-10-21(26)27/h1-9,22H,10-17H2,(H,26,27)
InChIKey
UVDWGJKQLARNNE-UHFFFAOYSA-N
Compound name
3-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.17102 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17830 195.6
[M+Na]+ 425.16024 198.2
[M-H]- 401.16374 199.1
[M+NH4]+ 420.20484 202.6
[M+K]+ 441.13418 191.9
[M+H-H2O]+ 385.16828 184.6
[M+HCOO]- 447.16922 204.1
[M+CH3COO]- 461.18487 218.5
[M+Na-2H]- 423.14569 194.5
[M]+ 402.17047 194.9
[M]- 402.17157 194.9
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

No patent data available for this compound.