CID 6452098

2,2',2''-nitrilotriethyl tribenzoate

Structural Information

Molecular Formula
C27H27NO6
SMILES
C1=CC=C(C=C1)C(=O)OCCN(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H27NO6/c29-25(22-10-4-1-5-11-22)32-19-16-28(17-20-33-26(30)23-12-6-2-7-13-23)18-21-34-27(31)24-14-8-3-9-15-24/h1-15H,16-21H2
InChIKey
OAXKCKGNLUUHEF-UHFFFAOYSA-N
Compound name
2-[bis(2-benzoyloxyethyl)amino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

461.18384 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.19112 211.1
[M+Na]+ 484.17306 222.2
[M+NH4]+ 479.21766 215.7
[M+K]+ 500.14700 215.4
[M-H]- 460.17656 215.7
[M+Na-2H]- 482.15851 219.5
[M]+ 461.18329 213.7
[M]- 461.18439 213.7
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