CID 9570843

79962-63-3

Structural Information

Molecular Formula
C17H14Cl2N4O4
SMILES
C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CCN
InChI
InChI=1S/C17H14Cl2N4O4/c18-12-3-1-10(7-13(12)19)14-4-2-11(27-14)8-21-22-9-16(25)23(17(22)26)15(24)5-6-20/h1-4,7-8H,5-6,9,20H2/b21-8+
InChIKey
BNYPEYGMZWOPOX-ODCIPOBUSA-N
Compound name
3-(3-aminopropanoyl)-1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0392 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04648 196.9
[M+Na]+ 431.02842 206.4
[M-H]- 407.03192 205.9
[M+NH4]+ 426.07302 208.3
[M+K]+ 447.00236 201.1
[M+H-H2O]+ 391.03646 188.6
[M+HCOO]- 453.03740 210.0
[M+CH3COO]- 467.05305 224.7
[M+Na-2H]- 429.01387 192.7
[M]+ 408.03865 201.9
[M]- 408.03975 201.9
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.