CID 473817

2',3'-didehydro-2',3'-deoxythymidine-5'-diethyl phosphate

Structural Information

Molecular Formula
C14H21N2O7P
SMILES
CCOP(=O)(OCC)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C14H21N2O7P/c1-4-20-24(19,21-5-2)22-9-11-6-7-12(23-11)16-8-10(3)13(17)15-14(16)18/h6-8,11-12H,4-5,9H2,1-3H3,(H,15,17,18)/t11-,12+/m0/s1
InChIKey
KWXVPSOSXAUESA-NWDGAFQWSA-N
Compound name
diethyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.10864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11592 178.4
[M+Na]+ 383.09786 186.0
[M-H]- 359.10136 181.2
[M+NH4]+ 378.14246 188.6
[M+K]+ 399.07180 185.6
[M+H-H2O]+ 343.10590 168.1
[M+HCOO]- 405.10684 202.1
[M+CH3COO]- 419.12249 210.1
[M+Na-2H]- 381.08331 178.6
[M]+ 360.10809 186.1
[M]- 360.10919 186.1
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.