CID 3009348

N-[(2s,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-1,2,4-triazole-1-carboxamidine

Structural Information

Molecular Formula
C13H17N7O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=C(N)N3C=NC=N3
InChI
InChI=1S/C13H17N7O4/c1-7-3-19(13(23)18-11(7)22)10-2-8(9(4-21)24-10)17-12(14)20-6-15-5-16-20/h3,5-6,8-10,21H,2,4H2,1H3,(H2,14,17)(H,18,22,23)/t8-,9+,10+/m0/s1
InChIKey
XOUYXMALKDVCKT-IVZWLZJFSA-N
Compound name
N'-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1,2,4-triazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13422 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14150 176.1
[M+Na]+ 358.12344 184.4
[M-H]- 334.12694 180.4
[M+NH4]+ 353.16804 183.7
[M+K]+ 374.09738 181.0
[M+H-H2O]+ 318.13148 166.0
[M+HCOO]- 380.13242 193.5
[M+CH3COO]- 394.14807 209.7
[M+Na-2H]- 356.10889 175.0
[M]+ 335.13367 174.9
[M]- 335.13477 174.9
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.