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 168.7
[M+Na]+ 315.08862 178.2
[M-H]- 291.09212 171.8
[M+NH4]+ 310.13322 180.3
[M+K]+ 331.06256 173.0
[M+H-H2O]+ 275.09666 160.3
[M+HCOO]- 337.09760 182.3
[M+CH3COO]- 351.11325 200.3
[M+Na-2H]- 313.07407 174.0
[M]+ 292.09885 170.2
[M]- 292.09995 170.2
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.