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]+ 411.22783 201.9
[M+Na]+ 433.20977 204.5
[M-H]- 409.21327 207.2
[M+NH4]+ 428.25437 208.7
[M+K]+ 449.18371 200.3
[M+H-H2O]+ 393.21781 189.9
[M+HCOO]- 455.21875 216.2
[M+CH3COO]- 469.23440 224.6
[M+Na-2H]- 431.19522 199.9
[M]+ 410.22000 202.3
[M]- 410.22110 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.