CID 3420727

107203-71-4

Structural Information

Molecular Formula
C15H20N4O2S
SMILES
CCCCC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H20N4O2S/c1-3-4-5-13-10-11(2)17-15(18-13)19-22(20,21)14-8-6-12(16)7-9-14/h6-10H,3-5,16H2,1-2H3,(H,17,18,19)
InChIKey
NJVPYAANQKSHAT-UHFFFAOYSA-N
Compound name
4-amino-N-(4-butyl-6-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.137976 174.5
[M+Na]+ 343.119918 182.6
[M-H]- 319.123424 178.4
[M+NH4]+ 338.164523 186.0
[M+K]+ 359.093858 176.6
[M+H-H2O]+ 303.127960 165.5
[M+HCOO]- 365.128901 191.3
[M+CH3COO]- 379.144551 210.0
[M+Na-2H]- 341.105366 178.0
[M]+ 320.13015142 176.6
[M]- 320.13124858 176.6
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.