CID 55798

88351-77-3

Structural Information

Molecular Formula
C24H21N3O5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C24H21N3O5/c1-2-31-23(29)16-10-12-18(13-11-16)26-22(28)17-6-5-7-19(14-17)25-15-27-20-8-3-4-9-21(20)32-24(27)30/h3-14,25H,2,15H2,1H3,(H,26,28)
InChIKey
WHUOQZYYENWOEJ-UHFFFAOYSA-N
Compound name
ethyl 4-[[3-[(2-oxo-1,3-benzoxazol-3-yl)methylamino]benzoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14813 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15541 201.8
[M+Na]+ 454.13735 208.7
[M-H]- 430.14085 212.6
[M+NH4]+ 449.18195 210.2
[M+K]+ 470.11129 205.3
[M+H-H2O]+ 414.14539 191.2
[M+HCOO]- 476.14633 225.0
[M+CH3COO]- 490.16198 231.9
[M+Na-2H]- 452.12280 205.1
[M]+ 431.14758 207.4
[M]- 431.14868 207.4
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.