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 192.2
[M+Na]+ 417.06280 202.0
[M-H]- 393.06630 201.1
[M+NH4]+ 412.10740 203.0
[M+K]+ 433.03674 196.8
[M+H-H2O]+ 377.07084 184.5
[M+HCOO]- 439.07178 207.1
[M+CH3COO]- 453.08743 202.3
[M+Na-2H]- 415.04825 189.7
[M]+ 394.07303 195.6
[M]- 394.07413 195.6
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.