CID 168645

27014-42-2

Structural Information

Molecular Formula
C18H40N2O8
SMILES
C(CN(CCOCCO)CCOCCO)N(CCOCCO)CCOCCO
InChI
InChI=1S/C18H40N2O8/c21-7-15-25-11-3-19(4-12-26-16-8-22)1-2-20(5-13-27-17-9-23)6-14-28-18-10-24/h21-24H,1-18H2
InChIKey
VZNCZGIMPKAVMR-UHFFFAOYSA-N
Compound name
2-[2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

412.27847 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.285746 196.9
[M+Na]+ 435.267688 227.0
[M-H]- 411.271194 217.2
[M+NH4]+ 430.312293 220.0
[M+K]+ 451.241628 195.7
[M+H-H2O]+ 395.275730 187.7
[M+HCOO]- 457.276671 225.4
[M+CH3COO]- 471.292321 225.8
[M+Na-2H]- 433.253136 196.0
[M]+ 412.27792142 216.4
[M]- 412.27901858 216.4
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