CID 168645

Veramin ed 4

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

0
Patents

412.27847 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.28575 196.9
[M+Na]+ 435.26769 227.0
[M-H]- 411.27119 217.2
[M+NH4]+ 430.31229 220.0
[M+K]+ 451.24163 195.7
[M+H-H2O]+ 395.27573 187.7
[M+HCOO]- 457.27667 225.4
[M+CH3COO]- 471.29232 225.8
[M+Na-2H]- 433.25314 196.0
[M]+ 412.27792 216.4
[M]- 412.27902 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