CID 33298

Brn 2787021

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C24H32N2O4/c1-4-7-17-29-22-11-9-8-10-21(22)23(27)25-20-14-12-19(13-15-20)24(28)30-18-16-26(5-2)6-3/h8-15H,4-7,16-18H2,1-3H3,(H,25,27)
InChIKey
PEEALBOMWBSSOP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(2-butoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.8
[M+Na]+ 435.22542 213.4
[M+NH4]+ 430.27002 208.7
[M+K]+ 451.19936 206.6
[M-H]- 411.22892 207.4
[M+Na-2H]- 433.21087 209.3
[M]+ 412.23565 205.9
[M]- 412.23675 205.9
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.