CID 5273980

1,2,4-triazine-3,5(2h,4h)-dione, 6-cyclopropyl-2-(2-deoxy-b-d-erythro-pentofuranosyl)-

Structural Information

Molecular Formula
C11H15N3O5
SMILES
C1CC1C2=NN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H15N3O5/c15-4-7-6(16)3-8(19-7)14-11(18)12-10(17)9(13-14)5-1-2-5/h5-8,15-16H,1-4H2,(H,12,17,18)/t6-,7+,8+/m0/s1
InChIKey
UKXRBXRTAHNIAQ-XLPZGREQSA-N
Compound name
6-cyclopropyl-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

269.10117 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 163.7
[M+Na]+ 292.09039 174.7
[M-H]- 268.09389 167.9
[M+NH4]+ 287.13499 170.3
[M+K]+ 308.06433 169.1
[M+H-H2O]+ 252.09843 156.1
[M+HCOO]- 314.09937 179.0
[M+CH3COO]- 328.11502 191.9
[M+Na-2H]- 290.07584 164.2
[M]+ 269.10062 165.3
[M]- 269.10172 165.3
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.