CID 48617

Iss 5052

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H30N2O4/c1-19-3-7-21(8-4-19)23(27)29-17-15-25-11-13-26(14-12-25)16-18-30-24(28)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3
InChIKey
FJCGNFBGXUYMRK-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-methylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 4-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]+ 411.227826 201.9
[M+Na]+ 433.209768 204.5
[M-H]- 409.213274 207.2
[M+NH4]+ 428.254373 208.7
[M+K]+ 449.183708 200.3
[M+H-H2O]+ 393.217810 189.9
[M+HCOO]- 455.218751 216.2
[M+CH3COO]- 469.234401 224.6
[M+Na-2H]- 431.195216 199.9
[M]+ 410.22000142 202.3
[M]- 410.22109858 202.3
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.