CID 57901

Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester

Structural Information

Molecular Formula
C24H25NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCN(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25NO5/c1-27-21-16-18(17-22(28-2)23(21)29-3)24(26)30-15-14-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3
InChIKey
FWHMUBHONTZAFC-UHFFFAOYSA-N
Compound name
2-(N-phenylanilino)ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.180556 198.8
[M+Na]+ 430.162498 203.4
[M-H]- 406.166004 209.3
[M+NH4]+ 425.207103 208.8
[M+K]+ 446.136438 201.5
[M+H-H2O]+ 390.170540 187.4
[M+HCOO]- 452.171481 222.4
[M+CH3COO]- 466.187131 229.1
[M+Na-2H]- 428.147946 200.3
[M]+ 407.17273142 205.7
[M]- 407.17382858 205.7
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

No patent data available for this compound.