CID 14787907

1,2,3,4-tetrahydroisoquinoline-2-sulfonamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CN(CC2=CC=CC=C21)S(=O)(=O)N
InChI
InChI=1S/C9H12N2O2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H2,10,12,13)
InChIKey
RERPSPPBSSELBR-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isoquinoline-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

212.06195 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 142.2
[M+Na]+ 235.05117 150.1
[M-H]- 211.05467 144.7
[M+NH4]+ 230.09577 160.5
[M+K]+ 251.02511 146.5
[M+H-H2O]+ 195.05921 136.1
[M+HCOO]- 257.06015 156.9
[M+CH3COO]- 271.07580 184.1
[M+Na-2H]- 233.03662 148.4
[M]+ 212.06140 140.6
[M]- 212.06250 140.6
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