CID 23381927

136229-61-3

Structural Information

Molecular Formula
C22H40N2O8
SMILES
CCOC(=O)CC(C(=O)OCC)NCCCCCCNC(CC(=O)OCC)C(=O)OCC
InChI
InChI=1S/C22H40N2O8/c1-5-29-19(25)15-17(21(27)31-7-3)23-13-11-9-10-12-14-24-18(22(28)32-8-4)16-20(26)30-6-2/h17-18,23-24H,5-16H2,1-4H3
InChIKey
WANPZOLZCYWUTE-UHFFFAOYSA-N
Compound name
diethyl 2-[6-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]hexylamino]butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

460.27847 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.28575 225.2
[M+Na]+ 483.26769 236.1
[M-H]- 459.27119 229.0
[M+NH4]+ 478.31229 235.5
[M+K]+ 499.24163 230.4
[M+H-H2O]+ 443.27573 228.2
[M+HCOO]- 505.27667 224.6
[M+CH3COO]- 519.29232 239.9
[M+Na-2H]- 481.25314 216.0
[M]+ 460.27792 222.1
[M]- 460.27902 222.1
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