CID 4962712

848179-07-7

Structural Information

Molecular Formula
C12H20N2O2S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C(=C1)C)C)N
InChI
InChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)11-7-9(3)10(4)12(13)8-11/h7-8H,5-6,13H2,1-4H3
InChIKey
RJHRVIOUKLTPPZ-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.12454 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13182 157.2
[M+Na]+ 279.11376 165.0
[M-H]- 255.11726 162.2
[M+NH4]+ 274.15836 175.0
[M+K]+ 295.08770 162.4
[M+H-H2O]+ 239.12180 150.6
[M+HCOO]- 301.12274 176.2
[M+CH3COO]- 315.13839 203.1
[M+Na-2H]- 277.09921 158.4
[M]+ 256.12399 161.0
[M]- 256.12509 161.0
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.