CID 511953

2-pyridinecarboxamide, 6-[(3,4-dichlorophenyl)methyl]-3-(ethylsulfonyl)-

Structural Information

Molecular Formula
C15H14Cl2N2O3S
SMILES
CCS(=O)(=O)C1=C(N=C(C=C1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)N
InChI
InChI=1S/C15H14Cl2N2O3S/c1-2-23(21,22)13-6-4-10(19-14(13)15(18)20)7-9-3-5-11(16)12(17)8-9/h3-6,8H,2,7H2,1H3,(H2,18,20)
InChIKey
RSOURFNIFZJHFC-UHFFFAOYSA-N
Compound name
6-[(3,4-dichlorophenyl)methyl]-3-ethylsulfonylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.01022 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01750 178.6
[M+Na]+ 394.99944 188.8
[M-H]- 371.00294 184.0
[M+NH4]+ 390.04404 191.2
[M+K]+ 410.97338 181.7
[M+H-H2O]+ 355.00748 172.6
[M+HCOO]- 417.00842 185.6
[M+CH3COO]- 431.02407 213.3
[M+Na-2H]- 392.98489 179.0
[M]+ 372.00967 184.8
[M]- 372.01077 184.8
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.