CID 5887677

Nsc659530

Structural Information

Molecular Formula
C20H11BrN2O5
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)Br
InChI
InChI=1S/C20H11BrN2O5/c21-14-7-3-1-5-11(14)9-15-18(25)23(20(27)22-15)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10H,(H,22,27)/b13-10+,15-9+
InChIKey
UPQQYXPYUSIKAW-ZINDJXDISA-N
Compound name
(5E)-5-[(2-bromophenyl)methylidene]-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.98514 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.99242 193.4
[M+Na]+ 460.97436 204.8
[M-H]- 436.97786 203.3
[M+NH4]+ 456.01896 204.7
[M+K]+ 476.94830 192.1
[M+H-H2O]+ 420.98240 191.2
[M+HCOO]- 482.98334 206.4
[M+CH3COO]- 496.99899 204.4
[M+Na-2H]- 458.95981 193.1
[M]+ 437.98459 209.7
[M]- 437.98569 209.7
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.