CID 9588925

Barbituric acid, 1-(furfurylideneamino)-3-(3-indolylacetyl)-2-thio-

Structural Information

Molecular Formula
C19H14N4O4S
SMILES
C1C(=O)N(C(=S)N(C1=O)/N=C/C2=CC=CO2)C(=O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H14N4O4S/c24-16(8-12-10-20-15-6-2-1-5-14(12)15)22-17(25)9-18(26)23(19(22)28)21-11-13-4-3-7-27-13/h1-7,10-11,20H,8-9H2/b21-11+
InChIKey
LQAZNOWGAGTOSY-SRZZPIQSSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-[2-(1H-indol-3-yl)acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.07358 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08086 190.7
[M+Na]+ 417.06280 202.4
[M+NH4]+ 412.10740 195.7
[M+K]+ 433.03674 198.7
[M-H]- 393.06630 194.7
[M+Na-2H]- 415.04825 194.7
[M]+ 394.07303 193.6
[M]- 394.07413 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.