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]+ 291.127396 166.1
[M+Na]+ 313.109338 173.7
[M-H]- 289.112844 169.6
[M+NH4]+ 308.153943 178.7
[M+K]+ 329.083278 168.3
[M+H-H2O]+ 273.117380 157.1
[M+HCOO]- 335.118321 182.6
[M+CH3COO]- 349.133971 206.1
[M+Na-2H]- 311.094786 167.3
[M]+ 290.11957142 166.9
[M]- 290.12066858 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.