CID 451832

Thymidine, 3'-o-ethyl-

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CCO[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)/t8-,9+,10+/m0/s1
InChIKey
KXGTYHLMWACQAG-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-ethoxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

270.12158 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 158.5
[M+Na]+ 293.11080 167.6
[M-H]- 269.11430 161.3
[M+NH4]+ 288.15540 171.8
[M+K]+ 309.08474 165.2
[M+H-H2O]+ 253.11884 151.2
[M+HCOO]- 315.11978 176.1
[M+CH3COO]- 329.13543 192.4
[M+Na-2H]- 291.09625 159.4
[M]+ 270.12103 160.5
[M]- 270.12213 160.5
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.