CID 15521047

324047-27-0

Structural Information

Molecular Formula
C24H31ClN2O3
SMILES
CC(C)OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H31ClN2O3/c1-19(2)30-23(28)18-29-17-16-26-12-14-27(15-13-26)24(20-6-4-3-5-7-20)21-8-10-22(25)11-9-21/h3-11,19,24H,12-18H2,1-2H3
InChIKey
XYBHROXLOFZZIR-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.20233 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20961 204.1
[M+Na]+ 453.19155 206.1
[M-H]- 429.19505 208.8
[M+NH4]+ 448.23615 210.7
[M+K]+ 469.16549 200.8
[M+H-H2O]+ 413.19959 192.6
[M+HCOO]- 475.20053 212.5
[M+CH3COO]- 489.21618 226.8
[M+Na-2H]- 451.17700 201.3
[M]+ 430.20178 205.3
[M]- 430.20288 205.3
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.