CID 109311

68334-53-2

Structural Information

Molecular Formula
C20H44N2O4
SMILES
CCN(CC)CC(COCCCCCCOCC(CN(CC)CC)O)O
InChI
InChI=1S/C20H44N2O4/c1-5-21(6-2)15-19(23)17-25-13-11-9-10-12-14-26-18-20(24)16-22(7-3)8-4/h19-20,23-24H,5-18H2,1-4H3
InChIKey
XPCXQFVTNPFNDC-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-[6-[3-(diethylamino)-2-hydroxypropoxy]hexoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.3301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.33738 203.7
[M+Na]+ 399.31932 202.1
[M-H]- 375.32282 201.2
[M+NH4]+ 394.36392 222.4
[M+K]+ 415.29326 202.4
[M+H-H2O]+ 359.32736 195.1
[M+HCOO]- 421.32830 220.9
[M+CH3COO]- 435.34395 230.0
[M+Na-2H]- 397.30477 198.9
[M]+ 376.32955 211.7
[M]- 376.33065 211.7
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.