CID 492997

Azt-ac

Structural Information

Molecular Formula
C12H13N5O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C12H13N5O7/c1-5-3-17(12(22)14-9(5)18)8-2-6(15-16-13)7(24-8)4-23-11(21)10(19)20/h3,6-8H,2,4H2,1H3,(H,19,20)(H,14,18,22)/t6-,7+,8+/m0/s1
InChIKey
LWEZPABPOZUJIS-XLPZGREQSA-N
Compound name
2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.0815 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08878 170.9
[M+Na]+ 362.07072 177.2
[M-H]- 338.07422 176.6
[M+NH4]+ 357.11532 180.5
[M+K]+ 378.04466 171.4
[M+H-H2O]+ 322.07876 166.6
[M+HCOO]- 384.07970 193.8
[M+CH3COO]- 398.09535 205.2
[M+Na-2H]- 360.05617 175.7
[M]+ 339.08095 169.9
[M]- 339.08205 169.9
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.