CID 86278257

116242-27-4

Structural Information

Molecular Formula
C17H27NO7
SMILES
C1=CC(=CC=C1C(=O)OCCO)N(CCOCCO)CCOCCO
InChI
InChI=1S/C17H27NO7/c19-7-12-23-10-5-18(6-11-24-13-8-20)16-3-1-15(2-4-16)17(22)25-14-9-21/h1-4,19-21H,5-14H2
InChIKey
ORWUQAQITKSSRZ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 4-[bis[2-(2-hydroxyethoxy)ethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3735
Patents

357.17874 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18602 184.6
[M+Na]+ 380.16796 190.7
[M+NH4]+ 375.21256 187.5
[M+K]+ 396.14190 187.4
[M-H]- 356.17146 182.5
[M+Na-2H]- 378.15341 185.4
[M]+ 357.17819 184.2
[M]- 357.17929 184.2
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