CID 3098422

18600-59-4

Structural Information

Molecular Formula
C22H12N2O4
SMILES
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H
InChIKey
BBITXNWQALLODC-UHFFFAOYSA-N
Compound name
2-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6212
Patents

368.0797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08698 184.4
[M+Na]+ 391.06892 206.6
[M+NH4]+ 386.11352 192.6
[M+K]+ 407.04286 197.0
[M-H]- 367.07242 194.5
[M+Na-2H]- 389.05437 196.0
[M]+ 368.07915 191.0
[M]- 368.08025 191.0
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