CID 3046717

N(sup 3)-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzenedisulfonamide hydrochloride

Structural Information

Molecular Formula
C11H19N3O5S2
SMILES
CN(C)CCNS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC
InChI
InChI=1S/C11H19N3O5S2/c1-14(2)7-6-13-21(17,18)11-8-9(20(12,15)16)4-5-10(11)19-3/h4-5,8,13H,6-7H2,1-3H3,(H2,12,15,16)
InChIKey
DDTMKRIEJNUWNT-UHFFFAOYSA-N
Compound name
3-N-[2-(dimethylamino)ethyl]-4-methoxybenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0766 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08388 172.9
[M+Na]+ 360.06582 178.4
[M-H]- 336.06932 176.2
[M+NH4]+ 355.11042 185.8
[M+K]+ 376.03976 174.8
[M+H-H2O]+ 320.07386 165.0
[M+HCOO]- 382.07480 186.4
[M+CH3COO]- 396.09045 213.8
[M+Na-2H]- 358.05127 176.4
[M]+ 337.07605 177.4
[M]- 337.07715 177.4
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

No patent data available for this compound.