CID 43255662

1-(3-aminophenyl)-n-(butan-2-yl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCC(C)NS(=O)(=O)CC1=CC(=CC=C1)N
InChI
InChI=1S/C11H18N2O2S/c1-3-9(2)13-16(14,15)8-10-5-4-6-11(12)7-10/h4-7,9,13H,3,8,12H2,1-2H3
InChIKey
QJCYUJHRXRONAD-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-N-butan-2-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.116176 153.7
[M+Na]+ 265.098118 159.8
[M-H]- 241.101624 156.6
[M+NH4]+ 260.142723 170.8
[M+K]+ 281.072058 156.4
[M+H-H2O]+ 225.106160 147.1
[M+HCOO]- 287.107101 171.6
[M+CH3COO]- 301.122751 195.1
[M+Na-2H]- 263.083566 156.2
[M]+ 242.10835142 154.4
[M]- 242.10944858 154.4
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.