CID 5467661

Nsc657602

Structural Information

Molecular Formula
C21H14N2O7
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)N2)/C=C\3/C(=O)C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C21H14N2O7/c1-29-17-9-11(6-7-15(17)24)8-14-19(26)23(21(28)22-14)10-13-18(25)12-4-2-3-5-16(12)30-20(13)27/h2-10,24H,1H3,(H,22,28)/b13-10-,14-8-
InChIKey
BYBRECSTMAPGQU-RRSUZHDMSA-N
Compound name
(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0801 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08738 193.1
[M+Na]+ 429.06932 201.9
[M-H]- 405.07282 199.9
[M+NH4]+ 424.11392 200.9
[M+K]+ 445.04326 196.6
[M+H-H2O]+ 389.07736 184.1
[M+HCOO]- 451.07830 206.5
[M+CH3COO]- 465.09395 219.5
[M+Na-2H]- 427.05477 190.8
[M]+ 406.07955 192.7
[M]- 406.08065 192.7
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.