CID 20115577

N-(1,2,3,4-tetrahydroquinolin-5-yl)methanesulfonamide

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CS(=O)(=O)NC1=CC=CC2=C1CCCN2
InChI
InChI=1S/C10H14N2O2S/c1-15(13,14)12-10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11-12H,3-4,7H2,1H3
InChIKey
JVBNNKBPDNFJKC-UHFFFAOYSA-N
Compound name
N-(1,2,3,4-tetrahydroquinolin-5-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.0776 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.084876 146.1
[M+Na]+ 249.066818 153.1
[M-H]- 225.070324 147.5
[M+NH4]+ 244.111423 163.5
[M+K]+ 265.040758 148.8
[M+H-H2O]+ 209.074860 140.1
[M+HCOO]- 271.075801 159.7
[M+CH3COO]- 285.091451 185.2
[M+Na-2H]- 247.052266 152.5
[M]+ 226.07705142 144.0
[M]- 226.07814858 144.0
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