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
3
Annotation Hits

0
References

3736
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 183.0
[M+Na]+ 380.16796 184.9
[M-H]- 356.17146 182.3
[M+NH4]+ 375.21256 193.4
[M+K]+ 396.14190 184.0
[M+H-H2O]+ 340.17600 174.5
[M+HCOO]- 402.17694 202.4
[M+CH3COO]- 416.19259 211.3
[M+Na-2H]- 378.15341 183.5
[M]+ 357.17819 189.5
[M]- 357.17929 189.5
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