CID 113574

100486-95-1

Structural Information

Molecular Formula
C24H50N2O3
SMILES
CCCCC(CC)CNCCCNC(CC(=O)OCC(C)O)CC(C)(C)CCC
InChI
InChI=1S/C24H50N2O3/c1-7-10-12-21(9-3)18-25-14-11-15-26-22(17-24(5,6)13-8-2)16-23(28)29-19-20(4)27/h20-22,25-27H,7-19H2,1-6H3
InChIKey
MVIDYNMRRFMPKE-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 3-[3-(2-ethylhexylamino)propylamino]-5,5-dimethyloctanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.38214 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.38942 216.4
[M+Na]+ 437.37136 213.6
[M-H]- 413.37486 219.1
[M+NH4]+ 432.41596 224.0
[M+K]+ 453.34530 211.6
[M+H-H2O]+ 397.37940 208.6
[M+HCOO]- 459.38034 222.4
[M+CH3COO]- 473.39599 236.3
[M+Na-2H]- 435.35681 210.1
[M]+ 414.38159 219.3
[M]- 414.38269 219.3
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.