CID 3075409

180274-08-2

Structural Information

Molecular Formula
C23H42N2O6S3
SMILES
CC1=C(C(=O)N(C(=O)N1CCS(=O)CC(C)C)CCS(=O)CC(C)C)OCCS(=O)CC(C)C
InChI
InChI=1S/C23H42N2O6S3/c1-17(2)14-32(28)11-8-24-20(7)21(31-10-13-34(30)16-19(5)6)22(26)25(23(24)27)9-12-33(29)15-18(3)4/h17-19H,8-16H2,1-7H3
InChIKey
LUJVTYFNHWTTHV-UHFFFAOYSA-N
Compound name
6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-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

538.2205 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.22778 214.0
[M+Na]+ 561.20972 215.7
[M-H]- 537.21322 211.9
[M+NH4]+ 556.25432 217.0
[M+K]+ 577.18366 209.2
[M+H-H2O]+ 521.21776 205.8
[M+HCOO]- 583.21870 210.2
[M+CH3COO]- 597.23435 248.0
[M+Na-2H]- 559.19517 204.8
[M]+ 538.21995 224.4
[M]- 538.22105 224.4
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.