CID 54698223

Zcqiaydmmohpmo-uhfffaoysa-n

Structural Information

Molecular Formula
C14H14BrFN2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC(=C(C=C2)F)Br)OC
InChI
InChI=1S/C14H14BrFN2O4/c1-17-7-9(12(19)14(17)21)13(20)18(22-2)6-8-3-4-11(16)10(15)5-8/h3-5,19H,6-7H2,1-2H3
InChIKey
ZCQIAYDMMOHPMO-UHFFFAOYSA-N
Compound name
N-[(3-bromo-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

372.0121 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01938 174.2
[M+Na]+ 395.00132 185.5
[M-H]- 371.00482 181.6
[M+NH4]+ 390.04592 190.6
[M+K]+ 410.97526 174.8
[M+H-H2O]+ 355.00936 171.5
[M+HCOO]- 417.01030 193.2
[M+CH3COO]- 431.02595 214.5
[M+Na-2H]- 392.98677 174.1
[M]+ 372.01155 194.5
[M]- 372.01265 194.5
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