CID 165605121

3-benzyl-1-[(e)-{[5-(4-nitrophenyl)furan-2-yl]methylidene}amino]imidazolidine-2,4-dione

Structural Information

Molecular Formula
C21H16N4O5
SMILES
C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4
InChI
InChI=1S/C21H16N4O5/c26-20-14-24(21(27)23(20)13-15-4-2-1-3-5-15)22-12-18-10-11-19(30-18)16-6-8-17(9-7-16)25(28)29/h1-12H,13-14H2/b22-12+
InChIKey
QBGATSQVPVXILM-WSDLNYQXSA-N
Compound name
3-benzyl-1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11206 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11934 194.3
[M+Na]+ 427.10128 199.6
[M-H]- 403.10478 207.3
[M+NH4]+ 422.14588 202.9
[M+K]+ 443.07522 192.0
[M+H-H2O]+ 387.10932 188.0
[M+HCOO]- 449.11026 218.1
[M+CH3COO]- 463.12591 219.0
[M+Na-2H]- 425.08673 196.4
[M]+ 404.11151 194.1
[M]- 404.11261 194.1
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.