CID 43256328

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

Structural Information

Molecular Formula
C12H20N2O2S
SMILES
CCCC(C)NS(=O)(=O)CC1=CC(=CC=C1)N
InChI
InChI=1S/C12H20N2O2S/c1-3-5-10(2)14-17(15,16)9-11-6-4-7-12(13)8-11/h4,6-8,10,14H,3,5,9,13H2,1-2H3
InChIKey
UQTOGWIWZGTFHX-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-N-pentan-2-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.12454 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13182 158.0
[M+Na]+ 279.11376 163.7
[M-H]- 255.11726 160.8
[M+NH4]+ 274.15836 174.6
[M+K]+ 295.08770 160.1
[M+H-H2O]+ 239.12180 151.2
[M+HCOO]- 301.12274 175.7
[M+CH3COO]- 315.13839 198.2
[M+Na-2H]- 277.09921 160.2
[M]+ 256.12399 159.2
[M]- 256.12509 159.2
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.