CID 380869

Nsc666612

Structural Information

Molecular Formula
C24H20N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O4/c1-2-29-23(27)18-9-11-19(12-10-18)25-15-16-8-13-21-20(14-16)26-22(24(28)30-21)17-6-4-3-5-7-17/h3-14,25H,2,15H2,1H3
InChIKey
DPNVDWUURGMMCV-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 197.0
[M+Na]+ 423.13152 204.4
[M-H]- 399.13502 206.9
[M+NH4]+ 418.17612 205.1
[M+K]+ 439.10546 200.0
[M+H-H2O]+ 383.13956 185.2
[M+HCOO]- 445.14050 217.4
[M+CH3COO]- 459.15615 206.6
[M+Na-2H]- 421.11697 202.1
[M]+ 400.14175 200.7
[M]- 400.14285 200.7
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.