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]+ 349.033426 178.9
[M+Na]+ 371.015368 186.9
[M-H]- 347.018874 188.9
[M+NH4]+ 366.059973 191.3
[M+K]+ 386.989308 179.6
[M+H-H2O]+ 331.023410 174.9
[M+HCOO]- 393.024351 199.1
[M+CH3COO]- 407.040001 205.6
[M+Na-2H]- 369.000816 181.8
[M]+ 348.02560142 181.0
[M]- 348.02669858 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.