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

literature stripe

Patent stripe

patents stripe