CID 9577585

14663-26-4

Structural Information

Molecular Formula
C14H10ClN3O3
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClN3O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8H2,(H,17,19,20)/b16-7+
InChIKey
XDICRFJOPMLLET-FRKPEAEDSA-N
Compound name
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

303.04108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04836 167.9
[M+Na]+ 326.03030 177.6
[M-H]- 302.03380 176.5
[M+NH4]+ 321.07490 182.8
[M+K]+ 342.00424 172.9
[M+H-H2O]+ 286.03834 159.8
[M+HCOO]- 348.03928 186.1
[M+CH3COO]- 362.05493 180.0
[M+Na-2H]- 324.01575 168.4
[M]+ 303.04053 169.7
[M]- 303.04163 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe