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]+ 432.155406 201.8
[M+Na]+ 454.137348 208.7
[M-H]- 430.140854 212.6
[M+NH4]+ 449.181953 210.2
[M+K]+ 470.111288 205.3
[M+H-H2O]+ 414.145390 191.2
[M+HCOO]- 476.146331 225.0
[M+CH3COO]- 490.161981 231.9
[M+Na-2H]- 452.122796 205.1
[M]+ 431.14758142 207.4
[M]- 431.14867858 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.