CID 471295

5'-o-[(cyclohexyloxy)carbonyl]2',3'-didehydro-3'-deoxythymidine

Structural Information

Molecular Formula
C17H22N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)OC3CCCCC3
InChI
InChI=1S/C17H22N2O6/c1-11-9-19(16(21)18-15(11)20)14-8-7-13(24-14)10-23-17(22)25-12-5-3-2-4-6-12/h7-9,12-14H,2-6,10H2,1H3,(H,18,20,21)/t13-,14+/m0/s1
InChIKey
LCHICVMPUILASS-UONOGXRCSA-N
Compound name
cyclohexyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1478 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15508 178.7
[M+Na]+ 373.13702 184.2
[M-H]- 349.14052 184.9
[M+NH4]+ 368.18162 188.2
[M+K]+ 389.11096 182.3
[M+H-H2O]+ 333.14506 169.4
[M+HCOO]- 395.14600 194.0
[M+CH3COO]- 409.16165 206.5
[M+Na-2H]- 371.12247 177.5
[M]+ 350.14725 178.4
[M]- 350.14835 178.4
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.