CID 3084898

Ethanol, 2,2'-iminobis-, dibenzoate (ester)

Structural Information

Molecular Formula
C18H19NO4
SMILES
C1=CC=C(C=C1)C(=O)OCCNCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H19NO4/c20-17(15-7-3-1-4-8-15)22-13-11-19-12-14-23-18(21)16-9-5-2-6-10-16/h1-10,19H,11-14H2
InChIKey
SSKKNVDGEGQKNN-UHFFFAOYSA-N
Compound name
2-(2-benzoyloxyethylamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 173.6
[M+Na]+ 336.120618 177.2
[M-H]- 312.124124 179.2
[M+NH4]+ 331.165223 186.8
[M+K]+ 352.094558 174.6
[M+H-H2O]+ 296.128660 164.5
[M+HCOO]- 358.129601 196.8
[M+CH3COO]- 372.145251 205.8
[M+Na-2H]- 334.106066 177.5
[M]+ 313.13085142 176.1
[M]- 313.13194858 176.1
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

No patent data available for this compound.