CID 54697551

Zqhoppdlkwkoan-uhfffaoysa-n

Structural Information

Molecular Formula
C14H14Cl2N2O3
SMILES
CN1CC(=C(C1=O)O)C(=O)N(C)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-4-10(15)11(16)5-8)13(20)9-7-18(2)14(21)12(9)19/h3-5,19H,6-7H2,1-2H3
InChIKey
ZQHOPPDLKWKOAN-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.03815 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04543 171.1
[M+Na]+ 351.02737 181.1
[M-H]- 327.03087 176.9
[M+NH4]+ 346.07197 187.2
[M+K]+ 367.00131 176.0
[M+H-H2O]+ 311.03541 165.3
[M+HCOO]- 373.03635 183.8
[M+CH3COO]- 387.05200 209.3
[M+Na-2H]- 349.01282 169.2
[M]+ 328.03760 176.2
[M]- 328.03870 176.2
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