CID 2733866

Refchem:446474

Structural Information

Molecular Formula
C24H15NO7
SMILES
C1=CC(=C(C=C1O)O)C2=CC3=C(C=C2O)OC4=CC(=O)C(=CC4=N3)C5=C(C=C(C=C5)O)O
InChI
InChI=1S/C24H15NO7/c26-11-1-3-13(19(28)5-11)15-7-17-23(9-21(15)30)32-24-10-22(31)16(8-18(24)25-17)14-4-2-12(27)6-20(14)29/h1-10,26-30H
InChIKey
VBELMRDAQMYTOU-UHFFFAOYSA-N
Compound name
2,8-bis(2,4-dihydroxyphenyl)-7-hydroxyphenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

316
Patents

429.08484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.09212 201.6
[M+Na]+ 452.07406 211.9
[M-H]- 428.07756 208.0
[M+NH4]+ 447.11866 207.1
[M+K]+ 468.04800 207.2
[M+H-H2O]+ 412.08210 190.9
[M+HCOO]- 474.08304 213.8
[M+CH3COO]- 488.09869 209.9
[M+Na-2H]- 450.05951 205.0
[M]+ 429.08429 203.9
[M]- 429.08539 203.9
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