CID 9574811

Nsc658494

Structural Information

Molecular Formula
C23H16ClN3O5
SMILES
CC(=O)N=C1N(/C(=C\C2=CC=CC=C2Cl)/C(=O)N1/C=C\3/C(=O)C4=CC=CC=C4OC3=O)C
InChI
InChI=1S/C23H16ClN3O5/c1-13(28)25-23-26(2)18(11-14-7-3-5-9-17(14)24)21(30)27(23)12-16-20(29)15-8-4-6-10-19(15)32-22(16)31/h3-12H,1-2H3/b16-12-,18-11-,25-23?
InChIKey
JPGQVJYUUXYLIE-DSSLYWTHSA-N
Compound name
N-[(4Z)-4-[(2-chlorophenyl)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

449.07785 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08513 207.8
[M+Na]+ 472.06707 217.5
[M-H]- 448.07057 218.1
[M+NH4]+ 467.11167 216.7
[M+K]+ 488.04101 211.2
[M+H-H2O]+ 432.07511 198.2
[M+HCOO]- 494.07605 220.3
[M+CH3COO]- 508.09170 234.5
[M+Na-2H]- 470.05252 204.1
[M]+ 449.07730 210.6
[M]- 449.07840 210.6
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.