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]+ 408.18056 198.6
[M+Na]+ 430.16250 212.7
[M+NH4]+ 425.20710 205.2
[M+K]+ 446.13644 205.0
[M-H]- 406.16600 205.1
[M+Na-2H]- 428.14795 208.4
[M]+ 407.17273 202.5
[M]- 407.17383 202.5
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

No patent data available for this compound.