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 198.8
[M+Na]+ 430.16250 203.4
[M-H]- 406.16600 209.3
[M+NH4]+ 425.20710 208.8
[M+K]+ 446.13644 201.5
[M+H-H2O]+ 390.17054 187.4
[M+HCOO]- 452.17148 222.4
[M+CH3COO]- 466.18713 229.1
[M+Na-2H]- 428.14795 200.3
[M]+ 407.17273 205.7
[M]- 407.17383 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.