CID 16781345

4-(aminomethyl)-n-(2-methylpropyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C11H18N2O2S/c1-9(2)8-13-16(14,15)11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKey
NXSHEUKMRPTCLI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.1089 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 154.7
[M+Na]+ 265.09812 163.4
[M+NH4]+ 260.14272 161.5
[M+K]+ 281.07206 157.0
[M-H]- 241.10162 156.0
[M+Na-2H]- 263.08357 159.2
[M]+ 242.10835 156.5
[M]- 242.10945 156.5
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