CID 2778671

175202-17-2

Structural Information

Molecular Formula
C8H14N4O2S
SMILES
CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)N
InChI
InChI=1S/C8H14N4O2S/c1-8(2,3)15(13,14)5-4-11-7(10)12-6(5)9/h4H,1-3H3,(H4,9,10,11,12)
InChIKey
OJZIKVJYVVQUDG-UHFFFAOYSA-N
Compound name
5-tert-butylsulfonylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08374 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09102 151.2
[M+Na]+ 253.07296 160.3
[M-H]- 229.07646 152.1
[M+NH4]+ 248.11756 166.4
[M+K]+ 269.04690 156.8
[M+H-H2O]+ 213.08100 144.6
[M+HCOO]- 275.08194 166.5
[M+CH3COO]- 289.09759 191.1
[M+Na-2H]- 251.05841 155.6
[M]+ 230.08319 151.2
[M]- 230.08429 151.2
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.