CID 6050258

Nsc658493

Structural Information

Molecular Formula
C22H14ClN3O5
SMILES
CC(=O)NC1=N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)N1/C=C/3\C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C22H14ClN3O5/c1-12(27)24-22-25-17(10-13-6-8-14(23)9-7-13)20(29)26(22)11-16-19(28)15-4-2-3-5-18(15)31-21(16)30/h2-11H,1H3,(H,24,25,27)/b16-11+,17-10-
InChIKey
ZZOIDNCOXBGNNJ-NMYAVHRMSA-N
Compound name
N-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-[(E)-(2,4-dioxochromen-3-ylidene)methyl]-5-oxoimidazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0622 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06948 203.3
[M+Na]+ 458.05142 212.9
[M-H]- 434.05492 212.6
[M+NH4]+ 453.09602 212.0
[M+K]+ 474.02536 206.5
[M+H-H2O]+ 418.05946 193.9
[M+HCOO]- 480.06040 216.1
[M+CH3COO]- 494.07605 228.4
[M+Na-2H]- 456.03687 201.4
[M]+ 435.06165 205.8
[M]- 435.06275 205.8
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.