CID 3075408

180274-07-1

Structural Information

Molecular Formula
C17H30N2O5S2
SMILES
CC1=C(C(=O)N(C(=O)N1CCS(=O)CC(C)C)CCS(=O)CC(C)C)O
InChI
InChI=1S/C17H30N2O5S2/c1-12(2)10-25(23)8-6-18-14(5)15(20)16(21)19(17(18)22)7-9-26(24)11-13(3)4/h12-13,20H,6-11H2,1-5H3
InChIKey
GNYXLPBKFMPMHV-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1596 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16688 186.9
[M+Na]+ 429.14882 192.9
[M-H]- 405.15232 186.0
[M+NH4]+ 424.19342 195.4
[M+K]+ 445.12276 187.7
[M+H-H2O]+ 389.15686 179.6
[M+HCOO]- 451.15780 191.2
[M+CH3COO]- 465.17345 222.7
[M+Na-2H]- 427.13427 179.8
[M]+ 406.15905 195.3
[M]- 406.16015 195.3
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.