CID 137838531

2095411-24-6

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CN1CCC2=C(C1)C=CC=C2S(=O)(=O)N
InChI
InChI=1S/C10H14N2O2S/c1-12-6-5-9-8(7-12)3-2-4-10(9)15(11,13)14/h2-4H,5-7H2,1H3,(H2,11,13,14)
InChIKey
UTRJAAVMDLBFAO-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.0776 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 146.7
[M+Na]+ 249.06682 155.0
[M-H]- 225.07032 149.4
[M+NH4]+ 244.11142 164.8
[M+K]+ 265.04076 151.3
[M+H-H2O]+ 209.07486 140.7
[M+HCOO]- 271.07580 161.1
[M+CH3COO]- 285.09145 188.3
[M+Na-2H]- 247.05227 151.7
[M]+ 226.07705 145.8
[M]- 226.07815 145.8
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