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]+ 293.106676 168.7
[M+Na]+ 315.088618 178.2
[M-H]- 291.092124 171.8
[M+NH4]+ 310.133223 180.3
[M+K]+ 331.062558 173.0
[M+H-H2O]+ 275.096660 160.3
[M+HCOO]- 337.097601 182.3
[M+CH3COO]- 351.113251 200.3
[M+Na-2H]- 313.074066 174.0
[M]+ 292.09885142 170.2
[M]- 292.09994858 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.