CID 42959251

3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1CC2=C(C(=CC=C2)S(=O)(=O)N)NC1
InChI
InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)
InChIKey
UVJPSTJAUUZEKC-UHFFFAOYSA-N
Compound name
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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 146.8
[M+Na]+ 249.066818 154.7
[M-H]- 225.070324 148.0
[M+NH4]+ 244.111423 164.2
[M+K]+ 265.040758 150.0
[M+H-H2O]+ 209.074860 141.1
[M+HCOO]- 271.075801 159.7
[M+CH3COO]- 285.091451 185.9
[M+Na-2H]- 247.052266 151.5
[M]+ 226.07705142 144.1
[M]- 226.07814858 144.1
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

patents stripe