CID 54698128

Wkbyhegisjshlh-uhfffaoysa-n

Structural Information

Molecular Formula
C15H17FN2O4
SMILES
CC1=C(C=CC(=C1)CN(C(=O)C2=C(C(=O)N(C2)C)O)OC)F
InChI
InChI=1S/C15H17FN2O4/c1-9-6-10(4-5-12(9)16)7-18(22-3)14(20)11-8-17(2)15(21)13(11)19/h4-6,19H,7-8H2,1-3H3
InChIKey
WKBYHEGISJSHLH-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-3-methylphenyl)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

308.11725 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12453 167.5
[M+Na]+ 331.10647 175.9
[M-H]- 307.10997 172.6
[M+NH4]+ 326.15107 182.9
[M+K]+ 347.08041 173.8
[M+H-H2O]+ 291.11451 159.2
[M+HCOO]- 353.11545 188.7
[M+CH3COO]- 367.13110 209.3
[M+Na-2H]- 329.09192 165.9
[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.