CID 16227057

923794-39-2

Structural Information

Molecular Formula
C13H17ClN2O3S
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CCl
InChI
InChI=1S/C13H17ClN2O3S/c1-15(2)20(18,19)11-5-6-12-10(8-11)4-3-7-16(12)13(17)9-14/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey
YPTPVOYNOCQADC-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06485 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07213 167.6
[M+Na]+ 339.05407 178.4
[M+NH4]+ 334.09867 174.9
[M+K]+ 355.02801 171.3
[M-H]- 315.05757 168.5
[M+Na-2H]- 337.03952 171.7
[M]+ 316.06430 170.0
[M]- 316.06540 170.0
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.