CID 2081013

4-amino-n-isopropyl-n-methylbenzenesulfonamide

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H16N2O2S/c1-8(2)12(3)15(13,14)10-6-4-9(11)5-7-10/h4-8H,11H2,1-3H3
InChIKey
BKKBUSJNRXXHSX-UHFFFAOYSA-N
Compound name
4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.09325 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 149.1
[M+Na]+ 251.08247 155.8
[M-H]- 227.08597 153.9
[M+NH4]+ 246.12707 167.5
[M+K]+ 267.05641 154.1
[M+H-H2O]+ 211.09051 142.6
[M+HCOO]- 273.09145 167.9
[M+CH3COO]- 287.10710 195.5
[M+Na-2H]- 249.06792 151.5
[M]+ 228.09270 150.8
[M]- 228.09380 150.8
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