CID 6477397

Nsc658481

Structural Information

Molecular Formula
C25H18N2O5
SMILES
CC(=O)/C=C/1\N/C(=C\C=C\C2=CC=CC=C2)/C(=O)N1/C=C\3/C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C25H18N2O5/c1-16(28)14-22-26-20(12-7-10-17-8-3-2-4-9-17)24(30)27(22)15-19-23(29)18-11-5-6-13-21(18)32-25(19)31/h2-15,26H,1H3/b10-7+,19-15-,20-12-,22-14+
InChIKey
HTZDFEWGQAPOFD-UGDNDXFDSA-N
Compound name
(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.12158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12886 202.5
[M+Na]+ 449.11080 211.1
[M-H]- 425.11430 210.1
[M+NH4]+ 444.15540 209.9
[M+K]+ 465.08474 203.2
[M+H-H2O]+ 409.11884 192.5
[M+HCOO]- 471.11978 218.0
[M+CH3COO]- 485.13543 223.5
[M+Na-2H]- 447.09625 200.0
[M]+ 426.12103 201.9
[M]- 426.12213 201.9
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.