CID 512677

100244-26-6

Structural Information

Molecular Formula
C11H15F2N3O6
SMILES
COC(CC1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)(F)F
InChI
InChI=1S/C11H15F2N3O6/c1-21-11(12,13)3-5-9(19)14-10(20)16(15-5)8-2-6(18)7(4-17)22-8/h6-8,17-18H,2-4H2,1H3,(H,14,19,20)/t6-,7+,8+/m0/s1
InChIKey
AOZKTLVSDRBXSH-XLPZGREQSA-N
Compound name
6-(2,2-difluoro-2-methoxyethyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.0929 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10018 167.5
[M+Na]+ 346.08212 176.5
[M-H]- 322.08562 165.3
[M+NH4]+ 341.12672 176.2
[M+K]+ 362.05606 173.7
[M+H-H2O]+ 306.09016 158.4
[M+HCOO]- 368.09110 178.9
[M+CH3COO]- 382.10675 198.4
[M+Na-2H]- 344.06757 168.4
[M]+ 323.09235 166.4
[M]- 323.09345 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.