CID 205402

Brn 2924389

Structural Information

Molecular Formula
C24H30N2O6
SMILES
CCN(CC)CCOC1=C(C=C(C=C1)C(=O)OC)C(=O)NC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C24H30N2O6/c1-5-26(6-2)14-15-32-21-13-10-18(23(28)30-4)16-20(21)22(27)25-19-11-8-17(9-12-19)24(29)31-7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H,25,27)
InChIKey
YVPVENAEPKEWTF-UHFFFAOYSA-N
Compound name
methyl 4-[2-(diethylamino)ethoxy]-3-[(4-ethoxycarbonylphenyl)carbamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2104 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.217676 208.1
[M+Na]+ 465.199618 210.6
[M-H]- 441.203124 215.2
[M+NH4]+ 460.244223 216.8
[M+K]+ 481.173558 210.1
[M+H-H2O]+ 425.207660 197.7
[M+HCOO]- 487.208601 230.3
[M+CH3COO]- 501.224251 239.5
[M+Na-2H]- 463.185066 205.7
[M]+ 442.20985142 215.9
[M]- 442.21094858 215.9
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.