CID 3062172

Brn 5304903

Structural Information

Molecular Formula
C20H16Cl2N2O2
SMILES
CC1=CC(=O)C(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16Cl2N2O2/c1-12-11-18(25)19(20(26)23-16-7-3-14(21)4-8-16)13(2)24(12)17-9-5-15(22)6-10-17/h3-11H,1-2H3,(H,23,26)
InChIKey
HNMDDIZFSGFPPB-UHFFFAOYSA-N
Compound name
N,1-bis(4-chlorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.05887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06615 187.7
[M+Na]+ 409.04809 198.8
[M-H]- 385.05159 196.2
[M+NH4]+ 404.09269 199.5
[M+K]+ 425.02203 190.9
[M+H-H2O]+ 369.05613 179.1
[M+HCOO]- 431.05707 201.0
[M+CH3COO]- 445.07272 221.0
[M+Na-2H]- 407.03354 188.6
[M]+ 386.05832 193.0
[M]- 386.05942 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.