CID 28689

Bisoxatin

Structural Information

Molecular Formula
C20H15NO4
SMILES
C1=CC=C2C(=C1)NC(=O)C(O2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)
InChIKey
BPKUDUSVDVLOPY-UHFFFAOYSA-N
Compound name
2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

315
Patents

333.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 178.2
[M+Na]+ 356.08932 186.3
[M-H]- 332.09282 184.6
[M+NH4]+ 351.13392 189.6
[M+K]+ 372.06326 181.0
[M+H-H2O]+ 316.09736 168.5
[M+HCOO]- 378.09830 192.7
[M+CH3COO]- 392.11395 187.8
[M+Na-2H]- 354.07477 184.0
[M]+ 333.09955 175.2
[M]- 333.10065 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe