CID 465650

3-(ohpr)azt

Structural Information

Molecular Formula
C13H19N5O5
SMILES
CC1=CN(C(=O)N(C1=O)CCCO)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H19N5O5/c1-8-6-18(13(22)17(12(8)21)3-2-4-19)11-5-9(15-16-14)10(7-20)23-11/h6,9-11,19-20H,2-5,7H2,1H3/t9-,10+,11+/m0/s1
InChIKey
ZCKICYYSMPGGAC-HBNTYKKESA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1386 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14588 173.3
[M+Na]+ 348.12782 180.6
[M-H]- 324.13132 178.9
[M+NH4]+ 343.17242 184.2
[M+K]+ 364.10176 173.3
[M+H-H2O]+ 308.13586 168.9
[M+HCOO]- 370.13680 197.0
[M+CH3COO]- 384.15245 206.2
[M+Na-2H]- 346.11327 178.4
[M]+ 325.13805 173.2
[M]- 325.13915 173.2
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

No patent data available for this compound.