CID 3116507

3,4-diamino-n,n-dimethylbenzenesulfonamide

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)N
InChI
InChI=1S/C8H13N3O2S/c1-11(2)14(12,13)6-3-4-7(9)8(10)5-6/h3-5H,9-10H2,1-2H3
InChIKey
PNUAACMLJDDJGX-UHFFFAOYSA-N
Compound name
3,4-diamino-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.07285 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08013 144.0
[M+Na]+ 238.06207 151.8
[M-H]- 214.06557 148.6
[M+NH4]+ 233.10667 162.5
[M+K]+ 254.03601 149.6
[M+H-H2O]+ 198.07011 137.4
[M+HCOO]- 260.07105 164.6
[M+CH3COO]- 274.08670 194.4
[M+Na-2H]- 236.04752 147.2
[M]+ 215.07230 144.1
[M]- 215.07340 144.1
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