CID 5469296

Nsc685412

Structural Information

Molecular Formula
C14H10ClN3O3
SMILES
CC(=O)N1CC(=O)N2C1=N/C(=C\C3=CC=C(C=C3)Cl)/C2=O
InChI
InChI=1S/C14H10ClN3O3/c1-8(19)17-7-12(20)18-13(21)11(16-14(17)18)6-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3/b11-6-
InChIKey
XJIKSGZTDTXLLR-WDZFZDKYSA-N
Compound name
(6Z)-1-acetyl-6-[(4-chlorophenyl)methylidene]-2H-imidazo[1,2-a]imidazole-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.04108 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04836 168.4
[M+Na]+ 326.03030 179.9
[M-H]- 302.03380 173.1
[M+NH4]+ 321.07490 185.1
[M+K]+ 342.00424 174.1
[M+H-H2O]+ 286.03834 160.9
[M+HCOO]- 348.03928 182.8
[M+CH3COO]- 362.05493 200.7
[M+Na-2H]- 324.01575 166.5
[M]+ 303.04053 171.0
[M]- 303.04163 171.0
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.