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]+ 317.072126 166.6
[M+Na]+ 339.054068 174.0
[M-H]- 315.057574 170.9
[M+NH4]+ 334.098673 182.6
[M+K]+ 355.028008 170.5
[M+H-H2O]+ 299.062110 160.8
[M+HCOO]- 361.063051 176.0
[M+CH3COO]- 375.078701 206.5
[M+Na-2H]- 337.039516 169.6
[M]+ 316.06430142 171.2
[M]- 316.06539858 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.