CID 6477391

Nsc657704

Structural Information

Molecular Formula
C20H12N2O6
SMILES
C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)N2)/C=C\3/C(=O)C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C20H12N2O6/c23-15-7-3-1-5-11(15)9-14-18(25)22(20(27)21-14)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10,23H,(H,21,27)/b13-10-,14-9+
InChIKey
OXOLJTSYTWUJTR-QWWBJACISA-N
Compound name
(5E)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.06955 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07683 186.3
[M+Na]+ 399.05877 195.1
[M-H]- 375.06227 193.0
[M+NH4]+ 394.10337 195.2
[M+K]+ 415.03271 189.1
[M+H-H2O]+ 359.06681 177.4
[M+HCOO]- 421.06775 200.0
[M+CH3COO]- 435.08340 212.7
[M+Na-2H]- 397.04422 184.9
[M]+ 376.06900 183.7
[M]- 376.07010 183.7
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

No patent data available for this compound.