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 204.5
[M+Na]+ 435.22542 206.4
[M-H]- 411.22892 211.0
[M+NH4]+ 430.27002 214.4
[M+K]+ 451.19936 204.2
[M+H-H2O]+ 395.23346 194.0
[M+HCOO]- 457.23440 227.0
[M+CH3COO]- 471.25005 234.4
[M+Na-2H]- 433.21087 203.4
[M]+ 412.23565 210.3
[M]- 412.23675 210.4
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.