CID 54704645

Dacgxgocoxezoz-uhfffaoysa-n

Structural Information

Molecular Formula
C14H14Cl2N2O4
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC(=C(C=C2)Cl)Cl)OC
InChI
InChI=1S/C14H14Cl2N2O4/c1-17-7-9(12(19)14(17)21)13(20)18(22-2)6-8-3-4-10(15)11(16)5-8/h3-5,19H,6-7H2,1-2H3
InChIKey
DACGXGOCOXEZOZ-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)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

344.03305 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.040326 173.1
[M+Na]+ 367.022268 182.9
[M-H]- 343.025774 178.9
[M+NH4]+ 362.066873 188.4
[M+K]+ 382.996208 178.5
[M+H-H2O]+ 327.030310 167.2
[M+HCOO]- 389.031251 186.0
[M+CH3COO]- 403.046901 211.5
[M+Na-2H]- 365.007716 171.4
[M]+ 344.03250142 179.6
[M]- 344.03359858 179.6
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