CID 9570716

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

Structural Information

Molecular Formula
C18H15N5O4
SMILES
C1C(=O)N(C(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)C#N)C(=O)CCN
InChI
InChI=1S/C18H15N5O4/c19-8-7-16(24)23-17(25)11-22(18(23)26)21-10-14-5-6-15(27-14)13-3-1-12(9-20)2-4-13/h1-6,10H,7-8,11,19H2/b21-10+
InChIKey
YOCRBKLYPXLZRN-UFFVCSGVSA-N
Compound name
4-[5-[(E)-[3-(3-aminopropanoyl)-2,4-dioxoimidazolidin-1-yl]iminomethyl]furan-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1124 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11968 185.7
[M+Na]+ 388.10162 194.5
[M-H]- 364.10512 192.2
[M+NH4]+ 383.14622 195.2
[M+K]+ 404.07556 190.1
[M+H-H2O]+ 348.10966 169.0
[M+HCOO]- 410.11060 204.1
[M+CH3COO]- 424.12625 228.3
[M+Na-2H]- 386.08707 183.1
[M]+ 365.11185 181.4
[M]- 365.11295 181.4
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.