CID 213303

Brn 2790502

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C25H34N2O4/c1-4-7-10-18-30-23-12-9-8-11-22(23)24(28)26-21-15-13-20(14-16-21)25(29)31-19-17-27(5-2)6-3/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,26,28)
InChIKey
XMXXLUJFQIIMHA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(2-pentoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.25186 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.259136 209.0
[M+Na]+ 449.241078 210.5
[M-H]- 425.244584 215.3
[M+NH4]+ 444.285683 218.3
[M+K]+ 465.215018 208.0
[M+H-H2O]+ 409.249120 198.2
[M+HCOO]- 471.250061 231.2
[M+CH3COO]- 485.265711 237.3
[M+Na-2H]- 447.226526 207.4
[M]+ 426.25131142 215.2
[M]- 426.25240858 215.2
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.