CID 2910532

378207-19-3

Structural Information

Molecular Formula
C21H21FN2O5
SMILES
C1COCCN1CCN2C(C(=C(C2=O)O)C(=O)C3=CC=CO3)C4=CC=CC=C4F
InChI
InChI=1S/C21H21FN2O5/c22-15-5-2-1-4-14(15)18-17(19(25)16-6-3-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23/h1-6,11,18,26H,7-10,12-13H2
InChIKey
SSTHJJBZDXNRRH-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.14346 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15074 192.2
[M+Na]+ 423.13268 197.8
[M-H]- 399.13618 201.3
[M+NH4]+ 418.17728 199.8
[M+K]+ 439.10662 195.3
[M+H-H2O]+ 383.14072 182.6
[M+HCOO]- 445.14166 205.8
[M+CH3COO]- 459.15731 201.0
[M+Na-2H]- 421.11813 187.2
[M]+ 400.14291 191.0
[M]- 400.14401 191.0
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.