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]+ 427.25914 209.0
[M+Na]+ 449.24108 210.5
[M-H]- 425.24458 215.3
[M+NH4]+ 444.28568 218.3
[M+K]+ 465.21502 208.0
[M+H-H2O]+ 409.24912 198.2
[M+HCOO]- 471.25006 231.2
[M+CH3COO]- 485.26571 237.3
[M+Na-2H]- 447.22653 207.4
[M]+ 426.25131 215.2
[M]- 426.25241 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.