CID 48601

Iss 5048

Structural Information

Molecular Formula
C24H42N2O4
SMILES
C1CCCC(CC1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3CCCCCC3
InChI
InChI=1S/C24H42N2O4/c27-23(21-9-5-1-2-6-10-21)29-19-17-25-13-15-26(16-14-25)18-20-30-24(28)22-11-7-3-4-8-12-22/h21-22H,1-20H2
InChIKey
XQIAUIQFIMGPHS-UHFFFAOYSA-N
Compound name
2-[4-[2-(cycloheptanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cycloheptanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.31445 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.32173 202.2
[M+Na]+ 445.30367 199.1
[M-H]- 421.30717 207.0
[M+NH4]+ 440.34827 206.8
[M+K]+ 461.27761 200.8
[M+H-H2O]+ 405.31171 192.3
[M+HCOO]- 467.31265 208.0
[M+CH3COO]- 481.32830 226.8
[M+Na-2H]- 443.28912 196.2
[M]+ 422.31390 190.5
[M]- 422.31500 190.5
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.