CID 9570845

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

Structural Information

Molecular Formula
C17H14ClFN4O4
SMILES
C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)F)Cl)C(=O)CCN
InChI
InChI=1S/C17H14ClFN4O4/c18-12-7-10(1-3-13(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
MWTXXFJWPBARHI-ODCIPOBUSA-N
Compound name
3-(3-aminopropanoyl)-1-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.06876 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07604 190.5
[M+Na]+ 415.05798 199.9
[M-H]- 391.06148 199.1
[M+NH4]+ 410.10258 202.2
[M+K]+ 431.03192 195.2
[M+H-H2O]+ 375.06602 181.2
[M+HCOO]- 437.06696 208.0
[M+CH3COO]- 451.08261 223.4
[M+Na-2H]- 413.04343 186.9
[M]+ 392.06821 193.6
[M]- 392.06931 193.6
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.