CID 5226

1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CNCC2=C1C=CC(=C2)S(=O)(=O)N
InChI
InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
InChIKey
UGLLZXSYRBMNOS-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

217
Patents

212.06195 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 142.2
[M+Na]+ 235.05117 149.6
[M-H]- 211.05467 143.2
[M+NH4]+ 230.09577 159.8
[M+K]+ 251.02511 145.2
[M+H-H2O]+ 195.05921 136.5
[M+HCOO]- 257.06015 155.4
[M+CH3COO]- 271.07580 181.6
[M+Na-2H]- 233.03662 148.0
[M]+ 212.06140 138.8
[M]- 212.06250 138.8
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