CID 51063036

94906-72-6

Structural Information

Molecular Formula
C15H14N4O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C3=COC=C3
InChI
InChI=1S/C15H14N4O3S/c1-10-8-14(11-6-7-22-9-11)18-15(17-10)19-23(20,21)13-4-2-12(16)3-5-13/h2-9H,16H2,1H3,(H,17,18,19)
InChIKey
ADAJIGPOKQPELW-UHFFFAOYSA-N
Compound name
4-amino-N-[4-(furan-3-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07867 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08595 173.6
[M+Na]+ 353.06789 186.1
[M+NH4]+ 348.11249 179.7
[M+K]+ 369.04183 181.1
[M-H]- 329.07139 179.3
[M+Na-2H]- 351.05334 181.7
[M]+ 330.07812 177.3
[M]- 330.07922 177.3
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.