CID 2934669

618072-45-0

Structural Information

Molecular Formula
C19H15NO5S
SMILES
CC1=C(SC=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CO4
InChI
InChI=1S/C19H15NO5S/c1-11-6-9-26-18(11)15-14(16(21)13-5-3-8-25-13)17(22)19(23)20(15)10-12-4-2-7-24-12/h2-9,15,22H,10H2,1H3
InChIKey
WQWRMVGBEWQRSB-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0671 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.07438 184.4
[M+Na]+ 392.05632 195.5
[M-H]- 368.05982 199.8
[M+NH4]+ 387.10092 200.4
[M+K]+ 408.03026 194.8
[M+H-H2O]+ 352.06436 182.1
[M+HCOO]- 414.06530 204.7
[M+CH3COO]- 428.08095 197.9
[M+Na-2H]- 390.04177 178.2
[M]+ 369.06655 193.7
[M]- 369.06765 193.7
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.