CID 380123

Nsc665525

Structural Information

Molecular Formula
C15H15NO2S
SMILES
C1CC2=C(C(=CC=C2)S(=O)(=O)C3=CC=CC=C3)NC1
InChI
InChI=1S/C15H15NO2S/c17-19(18,13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-16-15(12)14/h1-4,6,8-10,16H,5,7,11H2
InChIKey
LAWQRIVTKICLAW-UHFFFAOYSA-N
Compound name
8-(benzenesulfonyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.08234 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 159.4
[M+Na]+ 296.07156 166.6
[M-H]- 272.07506 163.8
[M+NH4]+ 291.11616 174.7
[M+K]+ 312.04550 160.7
[M+H-H2O]+ 256.07960 152.1
[M+HCOO]- 318.08054 171.9
[M+CH3COO]- 332.09619 170.0
[M+Na-2H]- 294.05701 165.2
[M]+ 273.08179 157.1
[M]- 273.08289 157.1
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

patents stripe