CID 204093

2-(4-phenyl-1-piperazinyl)ethyl 2-(4-isobutylphenyl)propionate hydrochloride

Structural Information

Molecular Formula
C25H34N2O2
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O2/c1-20(2)19-22-9-11-23(12-10-22)21(3)25(28)29-18-17-26-13-15-27(16-14-26)24-7-5-4-6-8-24/h4-12,20-21H,13-19H2,1-3H3
InChIKey
QABXCTDDQLQHSH-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.26202 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26930 200.9
[M+Na]+ 417.25124 201.8
[M-H]- 393.25474 205.6
[M+NH4]+ 412.29584 208.1
[M+K]+ 433.22518 197.1
[M+H-H2O]+ 377.25928 189.0
[M+HCOO]- 439.26022 213.2
[M+CH3COO]- 453.27587 224.3
[M+Na-2H]- 415.23669 197.7
[M]+ 394.26147 198.6
[M]- 394.26257 198.6
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

patents stripe