CID 48603

Iss 5050

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC1=CC=CC=C1C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C24H30N2O4/c1-19-7-3-5-9-21(19)23(27)29-17-15-25-11-13-26(14-12-25)16-18-30-24(28)22-10-6-4-8-20(22)2/h3-10H,11-18H2,1-2H3
InChIKey
MDSZVKWDSRYGDS-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-methylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 201.7
[M+Na]+ 433.20977 213.8
[M+NH4]+ 428.25437 206.8
[M+K]+ 449.18371 206.7
[M-H]- 409.21327 205.3
[M+Na-2H]- 431.19522 208.0
[M]+ 410.22000 204.2
[M]- 410.22110 204.2
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.