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 184.8
[M+Na]+ 388.06139 195.0
[M-H]- 364.06489 198.5
[M+NH4]+ 383.10599 200.0
[M+K]+ 404.03533 191.5
[M+H-H2O]+ 348.06943 179.5
[M+HCOO]- 410.07037 204.4
[M+CH3COO]- 424.08602 197.3
[M+Na-2H]- 386.04684 180.2
[M]+ 365.07162 190.9
[M]- 365.07272 190.9
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.