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]+ 313.09944 165.6
[M+Na]+ 335.08138 174.5
[M-H]- 311.08488 169.5
[M+NH4]+ 330.12598 180.8
[M+K]+ 351.05532 172.2
[M+H-H2O]+ 295.08942 156.5
[M+HCOO]- 357.09036 186.1
[M+CH3COO]- 371.10601 209.0
[M+Na-2H]- 333.06683 164.0
[M]+ 312.09161 166.7
[M]- 312.09271 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