CID 9570580

Unii-bg5q5gn5po

Structural Information

Molecular Formula
C16H14N4O4
SMILES
CC(=O)NC1=CC=C(C=C1)C2=CC=C(O2)/C=N/N3CC(=O)NC3=O
InChI
InChI=1S/C16H14N4O4/c1-10(21)18-12-4-2-11(3-5-12)14-7-6-13(24-14)8-17-20-9-15(22)19-16(20)23/h2-8H,9H2,1H3,(H,18,21)(H,19,22,23)/b17-8+
InChIKey
KCHQFKQLAANEFF-CAOOACKPSA-N
Compound name
N-[4-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.1015 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 173.4
[M+Na]+ 349.09072 180.3
[M-H]- 325.09422 182.2
[M+NH4]+ 344.13532 185.9
[M+K]+ 365.06466 177.5
[M+H-H2O]+ 309.09876 164.6
[M+HCOO]- 371.09970 196.2
[M+CH3COO]- 385.11535 210.0
[M+Na-2H]- 347.07617 173.6
[M]+ 326.10095 173.3
[M]- 326.10205 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.