CID 2934282

617694-14-1

Structural Information

Molecular Formula
C20H15NO4S
SMILES
C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CS4
InChI
InChI=1S/C20H15NO4S/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-11,17,23H,12H2
InChIKey
YCJVXBXUNFUQPF-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

365.07217 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07945 183.4
[M+Na]+ 388.06139 196.3
[M+NH4]+ 383.10599 190.6
[M+K]+ 404.03533 193.8
[M-H]- 364.06489 190.1
[M+Na-2H]- 386.04684 190.8
[M]+ 365.07162 187.6
[M]- 365.07272 187.6
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.