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]+ 268.10402 155.0
[M+Na]+ 290.08596 162.2
[M-H]- 266.08946 159.3
[M+NH4]+ 285.13056 169.7
[M+K]+ 306.05990 157.0
[M+H-H2O]+ 250.09400 151.2
[M+HCOO]- 312.09494 180.0
[M+CH3COO]- 326.11059 196.6
[M+Na-2H]- 288.07141 164.5
[M]+ 267.09619 156.1
[M]- 267.09729 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.