CID 54698218

Scfpucquyjvjfm-uhfffaoysa-n

Structural Information

Molecular Formula
C15H17FN2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CCC2=CC=C(C=C2)F)OC
InChI
InChI=1S/C15H17FN2O4/c1-17-9-12(13(19)15(17)21)14(20)18(22-2)8-7-10-3-5-11(16)6-4-10/h3-6,19H,7-9H2,1-2H3
InChIKey
SCFPUCQUYJVJFM-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)ethyl]-4-hydroxy-N-methoxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.11725 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12453 167.9
[M+Na]+ 331.10647 175.4
[M-H]- 307.10997 172.6
[M+NH4]+ 326.15107 183.0
[M+K]+ 347.08041 173.3
[M+H-H2O]+ 291.11451 159.3
[M+HCOO]- 353.11545 189.2
[M+CH3COO]- 367.13110 208.0
[M+Na-2H]- 329.09192 167.0
[M]+ 308.11670 170.0
[M]- 308.11780 170.0
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.