CID 43533048

1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 142.3
[M+Na]+ 235.05117 152.5
[M+NH4]+ 230.09577 150.2
[M+K]+ 251.02511 145.8
[M-H]- 211.05467 143.2
[M+Na-2H]- 233.03662 146.9
[M]+ 212.06140 144.2
[M]- 212.06250 144.2
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