CID 54698217

Mbgarccekklfjc-uhfffaoysa-n

Structural Information

Molecular Formula
C14H15ClN2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C14H15ClN2O4/c1-16-8-11(12(18)14(16)20)13(19)17(21-2)7-9-3-5-10(15)6-4-9/h3-6,18H,7-8H2,1-2H3
InChIKey
MBGARCCEKKLFJC-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)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

310.07202 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07930 167.4
[M+Na]+ 333.06124 176.0
[M-H]- 309.06474 173.5
[M+NH4]+ 328.10584 183.4
[M+K]+ 349.03518 172.8
[M+H-H2O]+ 293.06928 160.6
[M+HCOO]- 355.07022 185.5
[M+CH3COO]- 369.08587 206.0
[M+Na-2H]- 331.04669 167.1
[M]+ 310.07147 172.3
[M]- 310.07257 172.3
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.