CID 2908455

381188-66-5

Structural Information

Molecular Formula
C21H21FN2O4S
SMILES
C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4F
InChI
InChI=1S/C21H21FN2O4S/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-13-29-16)20(26)21(27)24(18)8-7-23-9-11-28-12-10-23/h1-6,13,18,26H,7-12H2
InChIKey
GKSKSDNRNPXFJZ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1206 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12788 199.0
[M+Na]+ 439.10982 209.0
[M+NH4]+ 434.15442 204.3
[M+K]+ 455.08376 205.2
[M-H]- 415.11332 203.2
[M+Na-2H]- 437.09527 202.8
[M]+ 416.12005 201.7
[M]- 416.12115 201.7
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.