CID 2778673

175202-19-4

Structural Information

Molecular Formula
C13H16N4O2S
SMILES
CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=CC=CC=N2
InChI
InChI=1S/C13H16N4O2S/c1-13(2,3)20(18,19)10-8-16-12(17-11(10)14)9-6-4-5-7-15-9/h4-8H,1-3H3,(H2,14,16,17)
InChIKey
AFJQTXMEFXBCIN-UHFFFAOYSA-N
Compound name
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

292.0994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10668 167.0
[M+Na]+ 315.08862 179.3
[M+NH4]+ 310.13322 172.7
[M+K]+ 331.06256 173.0
[M-H]- 291.09212 168.2
[M+Na-2H]- 313.07407 174.2
[M]+ 292.09885 169.5
[M]- 292.09995 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.