CID 51056598

4-amino-n-(4-hexyl-6-methyl-2-pyrimidinyl)benzenesulfonamide

Structural Information

Molecular Formula
C17H24N4O2S
SMILES
CCCCCCC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H24N4O2S/c1-3-4-5-6-7-15-12-13(2)19-17(20-15)21-24(22,23)16-10-8-14(18)9-11-16/h8-12H,3-7,18H2,1-2H3,(H,19,20,21)
InChIKey
KYRCCWKTPWMTSK-UHFFFAOYSA-N
Compound name
4-amino-N-(4-hexyl-6-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.162 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16928 182.9
[M+Na]+ 371.15122 190.0
[M-H]- 347.15472 186.4
[M+NH4]+ 366.19582 193.2
[M+K]+ 387.12516 183.6
[M+H-H2O]+ 331.15926 173.5
[M+HCOO]- 393.16020 199.0
[M+CH3COO]- 407.17585 215.9
[M+Na-2H]- 369.13667 185.5
[M]+ 348.16145 185.6
[M]- 348.16255 185.6
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.