CID 452425

5'-o-hexanoyl azt

Structural Information

Molecular Formula
C16H23N5O5
SMILES
CCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C16H23N5O5/c1-3-4-5-6-14(22)25-9-12-11(19-20-17)7-13(26-12)21-8-10(2)15(23)18-16(21)24/h8,11-13H,3-7,9H2,1-2H3,(H,18,23,24)/t11-,12+,13+/m0/s1
InChIKey
LUIPEEQBFGQZHM-YNEHKIRRSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

365.16992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17720 186.1
[M+Na]+ 388.15914 191.7
[M-H]- 364.16264 192.3
[M+NH4]+ 383.20374 195.8
[M+K]+ 404.13308 184.6
[M+H-H2O]+ 348.16718 180.9
[M+HCOO]- 410.16812 209.6
[M+CH3COO]- 424.18377 215.7
[M+Na-2H]- 386.14459 189.7
[M]+ 365.16937 187.0
[M]- 365.17047 187.0
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

patents stripe