CID 3001050

Acetamide, n-(4-amino-2-methyl-5-pyrimidinyl)-n-[(1e)-4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]-

Structural Information

Molecular Formula
C15H24N4O2S2
SMILES
CCCSS/C(=C(\C)/N(C1=CN=C(N=C1N)C)C(=O)C)/CCO
InChI
InChI=1S/C15H24N4O2S2/c1-5-8-22-23-14(6-7-20)10(2)19(12(4)21)13-9-17-11(3)18-15(13)16/h9,20H,5-8H2,1-4H3,(H2,16,17,18)/b14-10+
InChIKey
UJFCYPLIPLTWDX-GXDHUFHOSA-N
Compound name
N-(4-amino-2-methylpyrimidin-5-yl)-N-[(E)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.13406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14134 180.8
[M+Na]+ 379.12328 184.7
[M-H]- 355.12678 180.1
[M+NH4]+ 374.16788 190.7
[M+K]+ 395.09722 179.5
[M+H-H2O]+ 339.13132 172.3
[M+HCOO]- 401.13226 187.5
[M+CH3COO]- 415.14791 218.6
[M+Na-2H]- 377.10873 176.4
[M]+ 356.13351 183.6
[M]- 356.13461 183.6
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.