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

6326
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 187.8
[M+Na]+ 391.06892 200.6
[M-H]- 367.07242 199.1
[M+NH4]+ 386.11352 195.9
[M+K]+ 407.04286 196.1
[M+H-H2O]+ 351.07696 175.2
[M+HCOO]- 413.07790 207.1
[M+CH3COO]- 427.09355 199.2
[M+Na-2H]- 389.05437 197.2
[M]+ 368.07915 193.2
[M]- 368.08025 193.2
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