CID 493550

3'-azido-2',3'-dideoxy-5-[2-(methoxycarbonyl)ethyl]-uridine

Structural Information

Molecular Formula
C13H17N5O6
SMILES
COC(=O)CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H17N5O6/c1-23-11(20)3-2-7-5-18(13(22)15-12(7)21)10-4-8(16-17-14)9(6-19)24-10/h5,8-10,19H,2-4,6H2,1H3,(H,15,21,22)/t8-,9+,10+/m0/s1
InChIKey
KVRUGZHZGPEWCE-IVZWLZJFSA-N
Compound name
methyl 3-[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1179 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12518 174.2
[M+Na]+ 362.10712 180.4
[M-H]- 338.11062 179.6
[M+NH4]+ 357.15172 184.1
[M+K]+ 378.08106 173.7
[M+H-H2O]+ 322.11516 169.6
[M+HCOO]- 384.11610 197.4
[M+CH3COO]- 398.13175 206.5
[M+Na-2H]- 360.09257 179.3
[M]+ 339.11735 173.6
[M]- 339.11845 173.6
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.