CID 54698239

Gkeoqachwzvnlt-uhfffaoysa-n

Structural Information

Molecular Formula
C14H14ClFN2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=C(C=C(C=C2)F)Cl)OC
InChI
InChI=1S/C14H14ClFN2O4/c1-17-7-10(12(19)14(17)21)13(20)18(22-2)6-8-3-4-9(16)5-11(8)15/h3-5,19H,6-7H2,1-2H3
InChIKey
GKEOQACHWZVNLT-UHFFFAOYSA-N
Compound name
N-[(2-chloro-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

328.06262 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06990 169.2
[M+Na]+ 351.05184 178.8
[M-H]- 327.05534 174.4
[M+NH4]+ 346.09644 184.7
[M+K]+ 367.02578 175.1
[M+H-H2O]+ 311.05988 161.8
[M+HCOO]- 373.06082 186.3
[M+CH3COO]- 387.07647 209.9
[M+Na-2H]- 349.03729 167.7
[M]+ 328.06207 173.6
[M]- 328.06317 173.6
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

patents stripe