CID 9570712

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

Structural Information

Molecular Formula
C17H15FN4O4
SMILES
C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)CCN
InChI
InChI=1S/C17H15FN4O4/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
XQGGPKJRLFAWBD-AWQFTUOYSA-N
Compound name
3-(3-aminopropanoyl)-1-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10773 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11501 180.9
[M+Na]+ 381.09695 188.8
[M-H]- 357.10045 189.4
[M+NH4]+ 376.14155 192.8
[M+K]+ 397.07089 185.7
[M+H-H2O]+ 341.10499 171.1
[M+HCOO]- 403.10593 203.2
[M+CH3COO]- 417.12158 218.6
[M+Na-2H]- 379.08240 178.8
[M]+ 358.10718 181.5
[M]- 358.10828 181.5
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.