CID 20641892

Tetronic 701

Structural Information

Molecular Formula
C22H48N2O8
SMILES
CC(CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO)OCCO
InChI
InChI=1S/C22H48N2O8/c1-19(29-11-7-25)15-23(16-20(2)30-12-8-26)5-6-24(17-21(3)31-13-9-27)18-22(4)32-14-10-28/h19-22,25-28H,5-18H2,1-4H3
InChIKey
YKNFBGRYAKVNNI-UHFFFAOYSA-N
Compound name
2-[1-[2-[bis[2-(2-hydroxyethoxy)propyl]amino]ethyl-[2-(2-hydroxyethoxy)propyl]amino]propan-2-yloxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

155
Patents

468.34106 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.34834 232.3
[M+Na]+ 491.33028 238.6
[M-H]- 467.33378 231.8
[M+NH4]+ 486.37488 236.4
[M+K]+ 507.30422 234.9
[M+H-H2O]+ 451.33832 232.5
[M+HCOO]- 513.33926 224.7
[M+CH3COO]- 527.35491 240.8
[M+Na-2H]- 489.31573 219.4
[M]+ 468.34051 227.1
[M]- 468.34161 227.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe