CID 3063813

4h-3,1-benzoxazin-4-one, 2,2'-(2-phenylethenylidene)bis-

Structural Information

Molecular Formula
C24H14N2O4
SMILES
C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C(=O)O2)C4=NC5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C24H14N2O4/c27-23-16-10-4-6-12-19(16)25-21(29-23)18(14-15-8-2-1-3-9-15)22-26-20-13-7-5-11-17(20)24(28)30-22/h1-14H
InChIKey
DDGBSVKYXNBKCO-UHFFFAOYSA-N
Compound name
2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

394.09537 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10265 194.9
[M+Na]+ 417.08459 205.8
[M-H]- 393.08809 205.5
[M+NH4]+ 412.12919 201.5
[M+K]+ 433.05853 200.9
[M+H-H2O]+ 377.09263 182.0
[M+HCOO]- 439.09357 212.7
[M+CH3COO]- 453.10922 205.0
[M+Na-2H]- 415.07004 203.0
[M]+ 394.09482 199.1
[M]- 394.09592 199.1
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

patents stripe