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 202.7
[M+Na]+ 457.09255 208.8
[M-H]- 433.09605 213.1
[M+NH4]+ 452.13715 210.6
[M+K]+ 473.06649 205.3
[M+H-H2O]+ 417.10059 191.5
[M+HCOO]- 479.10153 216.8
[M+CH3COO]- 493.11718 211.6
[M+Na-2H]- 455.07800 205.5
[M]+ 434.10278 207.7
[M]- 434.10388 207.7
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.