CID 474452

N'-[1-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]-n,n-dimethyl-formamidine

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CN(C)C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C13H20N4O4/c1-16(2)8-14-11-3-4-17(13(20)15-11)12-5-9(6-18)10(7-19)21-12/h3-4,8-10,12,18-19H,5-7H2,1-2H3/t9-,10-,12-/m1/s1
InChIKey
RVJSCAPUUZETRQ-CKYFFXLPSA-N
Compound name
N'-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.14847 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15575 167.8
[M+Na]+ 319.13769 174.5
[M-H]- 295.14119 172.9
[M+NH4]+ 314.18229 180.4
[M+K]+ 335.11163 173.5
[M+H-H2O]+ 279.14573 159.0
[M+HCOO]- 341.14667 189.0
[M+CH3COO]- 355.16232 207.2
[M+Na-2H]- 317.12314 169.7
[M]+ 296.14792 169.8
[M]- 296.14902 169.8
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.