CID 48613

Iss 5047

Structural Information

Molecular Formula
C22H38N2O4
SMILES
C1CCC(CC1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3CCCCC3
InChI
InChI=1S/C22H38N2O4/c25-21(19-7-3-1-4-8-19)27-17-15-23-11-13-24(14-12-23)16-18-28-22(26)20-9-5-2-6-10-20/h19-20H,1-18H2
InChIKey
IGXHYYHCMIJCEA-UHFFFAOYSA-N
Compound name
2-[4-[2-(cyclohexanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.28317 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.29045 200.0
[M+Na]+ 417.27239 195.5
[M-H]- 393.27589 202.3
[M+NH4]+ 412.31699 206.3
[M+K]+ 433.24633 193.0
[M+H-H2O]+ 377.28043 188.1
[M+HCOO]- 439.28137 206.3
[M+CH3COO]- 453.29702 218.7
[M+Na-2H]- 415.25784 194.4
[M]+ 394.28262 190.4
[M]- 394.28372 190.4
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.