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]+ 443.21768 208.1
[M+Na]+ 465.19962 210.6
[M-H]- 441.20312 215.2
[M+NH4]+ 460.24422 216.8
[M+K]+ 481.17356 210.1
[M+H-H2O]+ 425.20766 197.7
[M+HCOO]- 487.20860 230.3
[M+CH3COO]- 501.22425 239.5
[M+Na-2H]- 463.18507 205.7
[M]+ 442.20985 215.9
[M]- 442.21095 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.