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]+ 257.131816 158.0
[M+Na]+ 279.113758 163.7
[M-H]- 255.117264 160.8
[M+NH4]+ 274.158363 174.6
[M+K]+ 295.087698 160.1
[M+H-H2O]+ 239.121800 151.2
[M+HCOO]- 301.122741 175.7
[M+CH3COO]- 315.138391 198.2
[M+Na-2H]- 277.099206 160.2
[M]+ 256.12399142 159.2
[M]- 256.12508858 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.