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]+ 345.04033 173.1
[M+Na]+ 367.02227 182.9
[M-H]- 343.02577 178.9
[M+NH4]+ 362.06687 188.4
[M+K]+ 382.99621 178.5
[M+H-H2O]+ 327.03031 167.2
[M+HCOO]- 389.03125 186.0
[M+CH3COO]- 403.04690 211.5
[M+Na-2H]- 365.00772 171.4
[M]+ 344.03250 179.6
[M]- 344.03360 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