CID 9574813

Nsc658812

Structural Information

Molecular Formula
C25H21N3O6
SMILES
CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=NC(=O)C)N2C)/C=C/3\C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C25H21N3O6/c1-4-33-17-11-9-16(10-12-17)13-20-23(31)28(25(27(20)3)26-15(2)29)14-19-22(30)18-7-5-6-8-21(18)34-24(19)32/h5-14H,4H2,1-3H3/b19-14+,20-13+,26-25?
InChIKey
PBXATZZYLXNIRR-NKFUWNMYSA-N
Compound name
N-[(4E)-1-[(E)-(2,4-dioxochromen-3-ylidene)methyl]-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.14304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15032 210.1
[M+Na]+ 482.13226 217.9
[M-H]- 458.13576 220.3
[M+NH4]+ 477.17686 217.5
[M+K]+ 498.10620 213.4
[M+H-H2O]+ 442.14030 199.8
[M+HCOO]- 504.14124 226.8
[M+CH3COO]- 518.15689 239.4
[M+Na-2H]- 480.11771 206.4
[M]+ 459.14249 212.7
[M]- 459.14359 212.7
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.