CID 120931

1877-47-0

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=C(C(=CC=C1)C)OC(=O)C(CC2=CC=CC=C2)N3CCN(CC3)C
InChI
InChI=1S/C22H28N2O2/c1-17-8-7-9-18(2)21(17)26-22(25)20(16-19-10-5-4-6-11-19)24-14-12-23(3)13-15-24/h4-11,20H,12-16H2,1-3H3
InChIKey
UPWFSPZOKYSXEJ-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.2
[M+Na]+ 375.20432 201.8
[M+NH4]+ 370.24892 195.3
[M+K]+ 391.17826 194.0
[M-H]- 351.20782 193.2
[M+Na-2H]- 373.18977 196.1
[M]+ 352.21455 191.6
[M]- 352.21565 191.6
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.