CID 492694

Pett deriv. 1

Structural Information

Molecular Formula
C13H14ClN3O2S
SMILES
C1=CC=C(C=C1)CCNS(=O)(=O)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H14ClN3O2S/c14-12-6-7-13(15-10-12)17-20(18,19)16-9-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,15,17)
InChIKey
IRLHNUIQMVCVKP-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-phenylethylsulfamoyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.04953 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.05681 166.3
[M+Na]+ 334.03875 174.2
[M-H]- 310.04225 171.7
[M+NH4]+ 329.08335 180.2
[M+K]+ 350.01269 167.7
[M+H-H2O]+ 294.04679 158.8
[M+HCOO]- 356.04773 181.2
[M+CH3COO]- 370.06338 203.0
[M+Na-2H]- 332.02420 172.7
[M]+ 311.04898 169.6
[M]- 311.05008 169.6
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.