CID 132342002

1-acetyl-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C13H16ClNO3S
SMILES
CC(=O)N1CCC(C2=C1C=CC(=C2)S(=O)(=O)Cl)(C)C
InChI
InChI=1S/C13H16ClNO3S/c1-9(16)15-7-6-13(2,3)11-8-10(19(14,17)18)4-5-12(11)15/h4-5,8H,6-7H2,1-3H3
InChIKey
IADYPNRGHMKCPI-UHFFFAOYSA-N
Compound name
1-acetyl-4,4-dimethyl-2,3-dihydroquinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06124 165.1
[M+Na]+ 324.04318 177.5
[M+NH4]+ 319.08778 174.1
[M+K]+ 340.01712 168.0
[M-H]- 300.04668 165.4
[M+Na-2H]- 322.02863 170.5
[M]+ 301.05341 167.9
[M]- 301.05451 167.9
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.