CID 170454546

4-amino-n-[4-(hydroxymethyl)pyrimidin-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C11H12N4O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CC(=N2)CO
InChI
InChI=1S/C11H12N4O3S/c12-8-1-3-10(4-2-8)19(17,18)15-11-13-6-5-9(7-16)14-11/h1-6,16H,7,12H2,(H,13,14,15)
InChIKey
FODAPULHRNLUSS-UHFFFAOYSA-N
Compound name
4-amino-N-[4-(hydroxymethyl)pyrimidin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06302 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.070296 159.6
[M+Na]+ 303.052238 167.9
[M-H]- 279.055744 162.5
[M+NH4]+ 298.096843 171.6
[M+K]+ 319.026178 162.5
[M+H-H2O]+ 263.060280 151.3
[M+HCOO]- 325.061221 176.4
[M+CH3COO]- 339.076871 196.7
[M+Na-2H]- 301.037686 165.6
[M]+ 280.06247142 159.4
[M]- 280.06356858 159.4
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.