CID 515054

N'-[1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-pyrimidin-4-yl]-n,n-dimethyl-formamidine

Structural Information

Molecular Formula
C11H16N4O3S
SMILES
CN(C)C=NC1=NC(=O)N(C=C1)[C@@H]2CS[C@@H](O2)CO
InChI
InChI=1S/C11H16N4O3S/c1-14(2)7-12-8-3-4-15(11(17)13-8)9-6-19-10(5-16)18-9/h3-4,7,9-10,16H,5-6H2,1-2H3/t9-,10+/m0/s1
InChIKey
RNXBLTWOYHAQMD-VHSXEESVSA-N
Compound name
N'-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0943 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10158 163.1
[M+Na]+ 307.08352 170.8
[M-H]- 283.08702 169.6
[M+NH4]+ 302.12812 177.5
[M+K]+ 323.05746 169.4
[M+H-H2O]+ 267.09156 154.7
[M+HCOO]- 329.09250 181.3
[M+CH3COO]- 343.10815 203.6
[M+Na-2H]- 305.06897 164.3
[M]+ 284.09375 166.6
[M]- 284.09485 166.6
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.