CID 9570714

2,4-imidazolidinedione, 3-(3-amino-1-oxopropyl)-1-(((5-(4-chlorophenyl)-2-furanyl)methylene)amino)-, monohydrochloride

Structural Information

Molecular Formula
C17H15ClN4O4
SMILES
C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)CCN
InChI
InChI=1S/C17H15ClN4O4/c18-12-3-1-11(2-4-12)14-6-5-13(26-14)9-20-21-10-16(24)22(17(21)25)15(23)7-8-19/h1-6,9H,7-8,10,19H2/b20-9+
InChIKey
HHNXUHYGJZFACA-AWQFTUOYSA-N
Compound name
3-(3-aminopropanoyl)-1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0782 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08548 188.0
[M+Na]+ 397.06742 196.5
[M-H]- 373.07092 197.6
[M+NH4]+ 392.11202 200.1
[M+K]+ 413.04136 192.2
[M+H-H2O]+ 357.07546 179.2
[M+HCOO]- 419.07640 206.5
[M+CH3COO]- 433.09205 219.5
[M+Na-2H]- 395.05287 185.6
[M]+ 374.07765 191.5
[M]- 374.07875 191.5
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.