CID 4962713

848179-08-8

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CC1=CC(=CC(=C1C)N)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H16N2O2S/c1-7-5-9(6-10(11)8(7)2)15(13,14)12(3)4/h5-6H,11H2,1-4H3
InChIKey
ACLGQJHSMVTHFR-UHFFFAOYSA-N
Compound name
3-amino-N,N,4,5-tetramethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 148.2
[M+Na]+ 251.08247 156.9
[M-H]- 227.08597 153.6
[M+NH4]+ 246.12707 167.2
[M+K]+ 267.05641 154.7
[M+H-H2O]+ 211.09051 142.0
[M+HCOO]- 273.09145 167.9
[M+CH3COO]- 287.10710 197.1
[M+Na-2H]- 249.06792 150.4
[M]+ 228.09270 151.3
[M]- 228.09380 151.3
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.