CID 5270559

3'-nitro-c3-oxy-c4-biflavone

Structural Information

Molecular Formula
C30H17NO7
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC4=C(C=C(C=C4)C5=CC(=O)C6=CC=CC=C6O5)[N+](=O)[O-]
InChI
InChI=1S/C30H17NO7/c32-23-17-27(36-24-12-6-4-10-20(23)24)19-14-15-26(22(16-19)31(34)35)38-30-28(33)21-11-5-7-13-25(21)37-29(30)18-8-2-1-3-9-18/h1-17H
InChIKey
UOKXRJBAKAGHKZ-UHFFFAOYSA-N
Compound name
3-[2-nitro-4-(4-oxochromen-2-yl)phenoxy]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.1005 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.10778 223.6
[M+Na]+ 526.08972 231.0
[M-H]- 502.09322 239.4
[M+NH4]+ 521.13432 226.5
[M+K]+ 542.06366 224.5
[M+H-H2O]+ 486.09776 212.9
[M+HCOO]- 548.09870 243.4
[M+CH3COO]- 562.11435 237.7
[M+Na-2H]- 524.07517 231.1
[M]+ 503.09995 227.9
[M]- 503.10105 227.9
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

No patent data available for this compound.