CID 452443

Thymine acyclonucleoside

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC1=CN(C(=O)NC1=O)CC[C@H](CO)N(C)N=O
InChI
InChI=1S/C10H16N4O4/c1-7-5-14(10(17)11-9(7)16)4-3-8(6-15)13(2)12-18/h5,8,15H,3-4,6H2,1-2H3,(H,11,16,17)/t8-/m1/s1
InChIKey
NKWZSGNZYYSZCG-MRVPVSSYSA-N
Compound name
N-[(2R)-1-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.11716 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 154.2
[M+Na]+ 279.10638 162.1
[M-H]- 255.10988 155.8
[M+NH4]+ 274.15098 168.0
[M+K]+ 295.08032 160.9
[M+H-H2O]+ 239.11442 145.9
[M+HCOO]- 301.11536 177.2
[M+CH3COO]- 315.13101 201.2
[M+Na-2H]- 277.09183 158.2
[M]+ 256.11661 157.4
[M]- 256.11771 157.4
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.