CID 54698226

Cqlzlihrwzksjo-uhfffaoysa-n

Structural Information

Molecular Formula
C14H14F2N2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=C(C=C(C=C2)F)F)OC
InChI
InChI=1S/C14H14F2N2O4/c1-17-7-10(12(19)14(17)21)13(20)18(22-2)6-8-3-4-9(15)5-11(8)16/h3-5,19H,6-7H2,1-2H3
InChIKey
CQLZLIHRWZKSJO-UHFFFAOYSA-N
Compound name
N-[(2,4-difluorophenyl)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

312.09216 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.099436 165.6
[M+Na]+ 335.081378 174.5
[M-H]- 311.084884 169.5
[M+NH4]+ 330.125983 180.8
[M+K]+ 351.055318 172.2
[M+H-H2O]+ 295.089420 156.5
[M+HCOO]- 357.090361 186.1
[M+CH3COO]- 371.106011 209.0
[M+Na-2H]- 333.066826 164.0
[M]+ 312.09161142 166.7
[M]- 312.09270858 166.7
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