CID 3033313

64058-16-8

Structural Information

Molecular Formula
C12H19N3OS
SMILES
CCCC(C)C1(C(=NC(=S)NC1=O)N)CC=C
InChI
InChI=1S/C12H19N3OS/c1-4-6-8(3)12(7-5-2)9(13)14-11(17)15-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H3,13,14,15,16,17)
InChIKey
GXFHLZQDXVHLPA-UHFFFAOYSA-N
Compound name
6-amino-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12488 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13216 160.5
[M+Na]+ 276.11410 169.2
[M+NH4]+ 271.15870 167.5
[M+K]+ 292.08804 160.3
[M-H]- 252.11760 160.0
[M+Na-2H]- 274.09955 163.5
[M]+ 253.12433 161.8
[M]- 253.12543 161.8
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.