CID 3040386

Jdl 157

Structural Information

Molecular Formula
C14H14ClN3O3S
SMILES
CC1=C(C=CC=C1Cl)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)C
InChI
InChI=1S/C14H14ClN3O3S/c1-9-11(15)4-3-5-12(9)17-13-6-7-16-8-14(13)22(20,21)18-10(2)19/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKey
DJIUCJOFWHNKPA-UHFFFAOYSA-N
Compound name
N-[4-(3-chloro-2-methylanilino)pyridin-3-yl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.04443 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05171 173.8
[M+Na]+ 362.03365 182.6
[M-H]- 338.03715 180.0
[M+NH4]+ 357.07825 186.9
[M+K]+ 378.00759 176.8
[M+H-H2O]+ 322.04169 166.6
[M+HCOO]- 384.04263 187.7
[M+CH3COO]- 398.05828 210.0
[M+Na-2H]- 360.01910 177.5
[M]+ 339.04388 178.3
[M]- 339.04498 178.3
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.