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 196.5
[M+Na]+ 439.10982 202.9
[M-H]- 415.11332 205.2
[M+NH4]+ 434.15442 205.9
[M+K]+ 455.08376 198.5
[M+H-H2O]+ 399.11786 187.9
[M+HCOO]- 461.11880 206.8
[M+CH3COO]- 475.13445 205.0
[M+Na-2H]- 437.09527 189.1
[M]+ 416.12005 196.1
[M]- 416.12115 196.1
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.