CID 3065908

Brn 6012768

Structural Information

Molecular Formula
C24H19ClN2O4
SMILES
COC(=O)CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3OC2)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O4/c1-30-23(28)14-16-6-12-19(13-7-16)27(24(29)17-8-10-18(25)11-9-17)22-15-31-21-5-3-2-4-20(21)26-22/h2-13H,14-15H2,1H3
InChIKey
VGARGFTVBJGZJS-UHFFFAOYSA-N
Compound name
methyl 2-[4-[2H-1,4-benzoxazin-3-yl-(4-chlorobenzoyl)amino]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.10333 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11061 201.2
[M+Na]+ 457.09255 217.6
[M+NH4]+ 452.13715 208.5
[M+K]+ 473.06649 209.3
[M-H]- 433.09605 209.3
[M+Na-2H]- 455.07800 210.6
[M]+ 434.10278 206.3
[M]- 434.10388 206.3
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.