CID 13135518

N,n-dimethylisoquinoline-5-sulfonamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

CN(C)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3

InChIKey

MRHJXMWWAQWJDD-UHFFFAOYSA-N

Compound name

N,N-dimethylisoquinoline-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 236.06195 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.069226	148.5
[M+Na]+	259.051168	157.6
[M-H]-	235.054674	153.5
[M+NH4]+	254.095773	166.9
[M+K]+	275.025108	155.0
[M+H-H2O]+	219.059210	141.6
[M+HCOO]-	281.060151	166.5
[M+CH3COO]-	295.075801	193.4
[M+Na-2H]-	257.036616	155.9
[M]+	236.06140142	152.5
[M]-	236.06249858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe