CID 465648

3-pentyl-3'-azido-3'-deoxythymidine

Structural Information

Molecular Formula
C15H23N5O4
SMILES
CCCCCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C
InChI
InChI=1S/C15H23N5O4/c1-3-4-5-6-19-14(22)10(2)8-20(15(19)23)13-7-11(17-18-16)12(9-21)24-13/h8,11-13,21H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1
InChIKey
PIAXFOSTEMNWSU-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-pentylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.17502 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18230 180.3
[M+Na]+ 360.16424 187.5
[M-H]- 336.16774 186.9
[M+NH4]+ 355.20884 191.6
[M+K]+ 376.13818 180.0
[M+H-H2O]+ 320.17228 175.5
[M+HCOO]- 382.17322 204.7
[M+CH3COO]- 396.18887 212.5
[M+Na-2H]- 358.14969 184.5
[M]+ 337.17447 181.4
[M]- 337.17557 181.4
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.