CID 4665710

3-amino-4-(dimethylamino)-n,n-diethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C12H21N3O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)N
InChI
InChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)10-7-8-12(14(3)4)11(13)9-10/h7-9H,5-6,13H2,1-4H3
InChIKey
GVYOYNOYNUNECZ-UHFFFAOYSA-N
Compound name
3-amino-4-(dimethylamino)-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13544 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14272 161.6
[M+Na]+ 294.12466 167.7
[M-H]- 270.12816 167.5
[M+NH4]+ 289.16926 178.7
[M+K]+ 310.09860 166.4
[M+H-H2O]+ 254.13270 154.0
[M+HCOO]- 316.13364 182.0
[M+CH3COO]- 330.14929 210.4
[M+Na-2H]- 292.11011 163.3
[M]+ 271.13489 165.4
[M]- 271.13599 165.4
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.