CID 15956687

1-[(4r)-2,2-bis(hydroxymethyl)-1,3-dithiolan-4-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O4S2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CSC(S2)(CO)CO
InChI
InChI=1S/C10H14N2O4S2/c1-6-2-12(9(16)11-8(6)15)7-3-17-10(4-13,5-14)18-7/h2,7,13-14H,3-5H2,1H3,(H,11,15,16)/t7-/m1/s1
InChIKey
LFCPVUVYSONDPR-SSDOTTSWSA-N
Compound name
1-[(4R)-2,2-bis(hydroxymethyl)-1,3-dithiolan-4-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0395 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04678 158.1
[M+Na]+ 313.02872 167.5
[M-H]- 289.03222 158.5
[M+NH4]+ 308.07332 173.7
[M+K]+ 329.00266 161.4
[M+H-H2O]+ 273.03676 153.4
[M+HCOO]- 335.03770 165.2
[M+CH3COO]- 349.05335 188.3
[M+Na-2H]- 311.01417 157.2
[M]+ 290.03895 159.0
[M]- 290.04005 159.0
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.