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 166.6
[M+Na]+ 339.05407 174.0
[M-H]- 315.05757 170.9
[M+NH4]+ 334.09867 182.6
[M+K]+ 355.02801 170.5
[M+H-H2O]+ 299.06211 160.8
[M+HCOO]- 361.06305 176.0
[M+CH3COO]- 375.07870 206.5
[M+Na-2H]- 337.03952 169.6
[M]+ 316.06430 171.2
[M]- 316.06540 171.2
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.