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]+ 257.131816 157.2
[M+Na]+ 279.113758 165.0
[M-H]- 255.117264 162.2
[M+NH4]+ 274.158363 175.0
[M+K]+ 295.087698 162.4
[M+H-H2O]+ 239.121800 150.6
[M+HCOO]- 301.122741 176.2
[M+CH3COO]- 315.138391 203.1
[M+Na-2H]- 277.099206 158.4
[M]+ 256.12399142 161.0
[M]- 256.12508858 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.