CID 11272882

136210-30-5

Structural Information

Molecular Formula
C29H50N2O8
SMILES
CCOC(=O)CC(C(=O)OCC)NC1CCC(CC1)CC2CCC(CC2)NC(CC(=O)OCC)C(=O)OCC
InChI
InChI=1S/C29H50N2O8/c1-5-36-26(32)18-24(28(34)38-7-3)30-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)31-25(29(35)39-8-4)19-27(33)37-6-2/h20-25,30-31H,5-19H2,1-4H3
InChIKey
VLJCQQPKCXJKKM-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

554.3567 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.36398 231.8
[M+Na]+ 577.34592 231.2
[M+NH4]+ 572.39052 252.6
[M+K]+ 593.31986 250.4
[M-H]- 553.34942 230.0
[M+Na-2H]- 575.33137 228.0
[M]+ 554.35615 230.0
[M]- 554.35725 230.0
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

patents stripe