CID 478099

284681-58-9

Structural Information

Molecular Formula
C14H17ClN4OS
SMILES
CCC(C)OC1=NC(=NC(=C1)N)SC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C14H17ClN4OS/c1-3-8(2)20-13-7-12(17)18-14(19-13)21-11-5-4-9(15)6-10(11)16/h4-8H,3,16H2,1-2H3,(H2,17,18,19)
InChIKey
JRIOREGEACUPQJ-UHFFFAOYSA-N
Compound name
2-(2-amino-4-chlorophenyl)sulfanyl-6-butan-2-yloxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.08115 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08843 172.0
[M+Na]+ 347.07037 181.0
[M-H]- 323.07387 175.7
[M+NH4]+ 342.11497 184.4
[M+K]+ 363.04431 174.3
[M+H-H2O]+ 307.07841 164.0
[M+HCOO]- 369.07935 183.9
[M+CH3COO]- 383.09500 211.0
[M+Na-2H]- 345.05582 172.0
[M]+ 324.08060 175.2
[M]- 324.08170 175.2
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.