CID 452424

5'-o-butyryl azt

Structural Information

Molecular Formula
C14H19N5O5
SMILES
CCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C14H19N5O5/c1-3-4-12(20)23-7-10-9(17-18-15)5-11(24-10)19-6-8(2)13(21)16-14(19)22/h6,9-11H,3-5,7H2,1-2H3,(H,16,21,22)/t9-,10+,11+/m0/s1
InChIKey
LMCYSBYVGBJDQC-HBNTYKKESA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

337.1386 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 176.9
[M+Na]+ 360.12782 183.4
[M-H]- 336.13132 183.5
[M+NH4]+ 355.17242 187.7
[M+K]+ 376.10176 176.7
[M+H-H2O]+ 320.13586 172.1
[M+HCOO]- 382.13680 201.1
[M+CH3COO]- 396.15245 209.6
[M+Na-2H]- 358.11327 181.5
[M]+ 337.13805 177.2
[M]- 337.13915 177.2
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.