CID 478096

284681-55-6

Structural Information

Molecular Formula
C14H18N4OS
SMILES
CCC(C)OC1=NC(=NC(=C1)N)SC2=CC=CC=C2N
InChI
InChI=1S/C14H18N4OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-7-5-4-6-10(11)15/h4-9H,3,15H2,1-2H3,(H2,16,17,18)
InChIKey
CYSLSTQJDPGVDW-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)sulfanyl-6-butan-2-yloxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12740 166.1
[M+Na]+ 313.10934 173.7
[M-H]- 289.11284 169.6
[M+NH4]+ 308.15394 178.7
[M+K]+ 329.08328 168.3
[M+H-H2O]+ 273.11738 157.1
[M+HCOO]- 335.11832 182.6
[M+CH3COO]- 349.13397 206.1
[M+Na-2H]- 311.09479 167.3
[M]+ 290.11957 166.9
[M]- 290.12067 166.9
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.