CID 474616

1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-isopropyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H24N2O4S
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CC2CC2(CO)CO)SC3=CC=CC=C3
InChI
InChI=1S/C19H24N2O4S/c1-12(2)15-16(24)20-18(25)21(9-13-8-19(13,10-22)11-23)17(15)26-14-6-4-3-5-7-14/h3-7,12-13,22-23H,8-11H2,1-2H3,(H,20,24,25)
InChIKey
UEHGYPGMEORDLR-UHFFFAOYSA-N
Compound name
1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1457 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15298 183.5
[M+Na]+ 399.13492 192.9
[M-H]- 375.13842 187.6
[M+NH4]+ 394.17952 189.2
[M+K]+ 415.10886 185.6
[M+H-H2O]+ 359.14296 176.4
[M+HCOO]- 421.14390 194.7
[M+CH3COO]- 435.15955 212.6
[M+Na-2H]- 397.12037 182.9
[M]+ 376.14515 189.3
[M]- 376.14625 189.3
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.