CID 3046266

1-(2-((2-chlorobenzhydryl)oxy)ethyl)-4-(2-carbethoxyethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C24H31ClN2O3
SMILES
CCOC(=O)CCN1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C24H31ClN2O3/c1-2-29-23(28)12-13-26-14-16-27(17-15-26)18-19-30-24(20-8-4-3-5-9-20)21-10-6-7-11-22(21)25/h3-11,24H,2,12-19H2,1H3
InChIKey
AFJWSUJZMSSOSI-UHFFFAOYSA-N
Compound name
ethyl 3-[4-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.20233 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20961 205.0
[M+Na]+ 453.19155 207.2
[M-H]- 429.19505 209.5
[M+NH4]+ 448.23615 211.6
[M+K]+ 469.16549 201.3
[M+H-H2O]+ 413.19959 193.1
[M+HCOO]- 475.20053 214.2
[M+CH3COO]- 489.21618 226.0
[M+Na-2H]- 451.17700 203.1
[M]+ 430.20178 206.6
[M]- 430.20288 206.6
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.