CID 7064100

6-(pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NCCC3
InChI
InChI=1S/C13H18N2O2S/c16-18(17,15-8-1-2-9-15)12-5-6-13-11(10-12)4-3-7-14-13/h5-6,10,14H,1-4,7-9H2
InChIKey
CVGAVEBLFIEIQO-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.1089 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11618 160.3
[M+Na]+ 289.09812 166.5
[M-H]- 265.10162 163.1
[M+NH4]+ 284.14272 176.5
[M+K]+ 305.07206 161.8
[M+H-H2O]+ 249.10616 153.4
[M+HCOO]- 311.10710 170.2
[M+CH3COO]- 325.12275 170.2
[M+Na-2H]- 287.08357 162.2
[M]+ 266.10835 156.2
[M]- 266.10945 156.2
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.