CID 452219

2,2'-anhydro-3'-az-secoddt

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CC1=CN2[C@@H](COC2=NC1=O)O[C@@H](CN=[N+]=[N-])CO
InChI
InChI=1S/C10H13N5O4/c1-6-3-15-8(5-18-10(15)13-9(6)17)19-7(4-16)2-12-14-11/h3,7-8,16H,2,4-5H2,1H3/t7-,8+/m0/s1
InChIKey
OHDMZPPGAFARAM-JGVFFNPUSA-N
Compound name
(3R)-3-[(2S)-1-azido-3-hydroxypropan-2-yl]oxy-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 155.0
[M+Na]+ 290.085958 162.2
[M-H]- 266.089464 159.3
[M+NH4]+ 285.130563 169.7
[M+K]+ 306.059898 157.0
[M+H-H2O]+ 250.094000 151.2
[M+HCOO]- 312.094941 180.0
[M+CH3COO]- 326.110591 196.6
[M+Na-2H]- 288.071406 164.5
[M]+ 267.09619142 156.1
[M]- 267.09728858 156.1
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.