CID 509101

Zinc03630221

Structural Information

Molecular Formula
C17H14Cl2N2O3
SMILES
CN1C(=O)CC(C1=O)NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O3/c1-21-16(22)9-14(17(21)23)20-11-4-7-15(13(19)8-11)24-12-5-2-10(18)3-6-12/h2-8,14,20H,9H2,1H3
InChIKey
MFWKDXIFMZNFPC-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.03815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04543 182.3
[M+Na]+ 387.02737 192.6
[M-H]- 363.03087 190.7
[M+NH4]+ 382.07197 196.6
[M+K]+ 403.00131 185.7
[M+H-H2O]+ 347.03541 174.6
[M+HCOO]- 409.03635 195.6
[M+CH3COO]- 423.05200 214.6
[M+Na-2H]- 385.01282 181.3
[M]+ 364.03760 186.3
[M]- 364.03870 186.3
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.