CID 54698227

Junwddseposmby-uhfffaoysa-n

Structural Information

Molecular Formula
C15H14FN3O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC(=C(C=C2)F)C#N)OC
InChI
InChI=1S/C15H14FN3O4/c1-18-8-11(13(20)15(18)22)14(21)19(23-2)7-9-3-4-12(16)10(5-9)6-17/h3-5,20H,7-8H2,1-2H3
InChIKey
JUNWDDSEPOSMBY-UHFFFAOYSA-N
Compound name
N-[(3-cyano-4-fluorophenyl)methyl]-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

319.09683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10411 169.3
[M+Na]+ 342.08605 179.0
[M-H]- 318.08955 172.8
[M+NH4]+ 337.13065 182.1
[M+K]+ 358.05999 175.9
[M+H-H2O]+ 302.09409 154.1
[M+HCOO]- 364.09503 186.8
[M+CH3COO]- 378.11068 219.8
[M+Na-2H]- 340.07150 167.6
[M]+ 319.09628 165.9
[M]- 319.09738 165.9
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.