CID 391254

Nsc690193

Structural Information

Molecular Formula
C11H13F3N2O6
SMILES
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)(CO)C(F)(F)F)O)O
InChI
InChI=1S/C11H13F3N2O6/c1-4-2-16(9(21)15-7(4)20)8-5(18)6(19)10(3-17,22-8)11(12,13)14/h2,5-6,8,17-19H,3H2,1H3,(H,15,20,21)
InChIKey
QBCCPAYXNMOHKH-UHFFFAOYSA-N
Compound name
1-[3,4-dihydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

326.07257 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07985 164.2
[M+Na]+ 349.06179 175.0
[M-H]- 325.06529 161.5
[M+NH4]+ 344.10639 176.0
[M+K]+ 365.03573 171.6
[M+H-H2O]+ 309.06983 156.9
[M+HCOO]- 371.07077 174.5
[M+CH3COO]- 385.08642 196.4
[M+Na-2H]- 347.04724 165.5
[M]+ 326.07202 160.7
[M]- 326.07312 160.7
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.