CID 89282

Brn 0708466

Structural Information

Molecular Formula
C14H10N4O5
SMILES
C1C(=O)N(C(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C14H10N4O5/c19-12-9-16(14(20)17(12)10-4-2-1-3-5-10)15-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2
InChIKey
PGBYZQMLFZWJHF-UHFFFAOYSA-N
Compound name
1-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06512 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07240 168.1
[M+Na]+ 337.05434 174.9
[M-H]- 313.05784 178.3
[M+NH4]+ 332.09894 180.9
[M+K]+ 353.02828 169.1
[M+H-H2O]+ 297.06238 163.6
[M+HCOO]- 359.06332 193.3
[M+CH3COO]- 373.07897 200.8
[M+Na-2H]- 335.03979 172.7
[M]+ 314.06457 167.8
[M]- 314.06567 167.8
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.