CID 113862

Brn 0717157

Structural Information

Molecular Formula
C14H9ClN4O5
SMILES
C1C(=O)N(C(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-])C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H9ClN4O5/c15-9-2-1-3-10(6-9)18-12(20)8-17(14(18)21)16-7-11-4-5-13(24-11)19(22)23/h1-7H,8H2
InChIKey
VGJILXOIKYGSSU-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.02615 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03343 178.9
[M+Na]+ 371.01537 186.9
[M-H]- 347.01887 188.9
[M+NH4]+ 366.05997 191.3
[M+K]+ 386.98931 179.6
[M+H-H2O]+ 331.02341 174.9
[M+HCOO]- 393.02435 199.1
[M+CH3COO]- 407.04000 205.6
[M+Na-2H]- 369.00082 181.8
[M]+ 348.02560 181.0
[M]- 348.02670 181.0
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.