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

13
Patents

236.06195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 148.5
[M+Na]+ 259.05117 157.6
[M-H]- 235.05467 153.5
[M+NH4]+ 254.09577 166.9
[M+K]+ 275.02511 155.0
[M+H-H2O]+ 219.05921 141.6
[M+HCOO]- 281.06015 166.5
[M+CH3COO]- 295.07580 193.4
[M+Na-2H]- 257.03662 155.9
[M]+ 236.06140 152.5
[M]- 236.06250 152.5
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