CID 9574808

Nsc658490

Structural Information

Molecular Formula
C23H15Cl2N3O5
SMILES
CC(=O)N=C1N(/C(=C\C2=C(C(=CC=C2)Cl)Cl)/C(=O)N1/C=C\3/C(=O)C4=CC=CC=C4OC3=O)C
InChI
InChI=1S/C23H15Cl2N3O5/c1-12(29)26-23-27(2)17(10-13-6-5-8-16(24)19(13)25)21(31)28(23)11-15-20(30)14-7-3-4-9-18(14)33-22(15)32/h3-11H,1-2H3/b15-11-,17-10-,26-23?
InChIKey
UKXVCJGUOQNXLD-UPNRPPMLSA-N
Compound name
N-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.03888 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.04616 215.0
[M+Na]+ 506.02810 225.8
[M-H]- 482.03160 224.8
[M+NH4]+ 501.07270 223.4
[M+K]+ 522.00204 218.9
[M+H-H2O]+ 466.03614 206.1
[M+HCOO]- 528.03708 222.5
[M+CH3COO]- 542.05273 239.5
[M+Na-2H]- 504.01355 209.9
[M]+ 483.03833 219.7
[M]- 483.03943 219.7
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.