CID 54698197

Pesjjudmabydom-uhfffaoysa-n

Structural Information

Molecular Formula
C20H16Cl4N2O3
SMILES
CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=O)N(C2)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H16Cl4N2O3/c1-25(8-11-2-4-14(21)16(23)6-11)19(28)13-10-26(20(29)18(13)27)9-12-3-5-15(22)17(24)7-12/h2-7,27H,8-10H2,1H3
InChIKey
PESJJUDMABYDOM-UHFFFAOYSA-N
Compound name
N,1-bis[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

471.99152 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.99880 203.8
[M+Na]+ 494.98074 213.3
[M-H]- 470.98424 209.4
[M+NH4]+ 490.02534 213.9
[M+K]+ 510.95468 206.6
[M+H-H2O]+ 454.98878 197.1
[M+HCOO]- 516.98972 204.7
[M+CH3COO]- 531.00537 233.4
[M+Na-2H]- 492.96619 197.6
[M]+ 471.99097 209.2
[M]- 471.99207 209.2
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