CID 5355019

Prosultiamine

Structural Information

Molecular Formula
C15H24N4O2S2
SMILES
CCCSS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO
InChI
InChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)/b14-11+
InChIKey
UDCIYVVYDCXLSX-SDNWHVSQSA-N
Compound name
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

57
References

4419
Patents

356.13406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14134 180.3
[M+Na]+ 379.12328 184.4
[M-H]- 355.12678 179.5
[M+NH4]+ 374.16788 190.3
[M+K]+ 395.09722 178.6
[M+H-H2O]+ 339.13132 171.7
[M+HCOO]- 401.13226 188.1
[M+CH3COO]- 415.14791 218.4
[M+Na-2H]- 377.10873 176.8
[M]+ 356.13351 183.7
[M]- 356.13461 183.7
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

patents stripe