CID 72208

Azt-2,5'-anhydro

Structural Information

Molecular Formula
C10H11N5O3
SMILES
CC1=CN2[C@H]3C[C@@H]([C@H](O3)COC2=NC1=O)N=[N+]=[N-]
InChI
InChI=1S/C10H11N5O3/c1-5-3-15-8-2-6(13-14-11)7(18-8)4-17-10(15)12-9(5)16/h3,6-8H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey
GHYVQWKIJDRIPJ-XLPZGREQSA-N
Compound name
(1R,10S,11S)-11-azido-4-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

249.08618 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 153.6
[M+Na]+ 272.07540 161.5
[M-H]- 248.07890 160.7
[M+NH4]+ 267.12000 169.3
[M+K]+ 288.04934 160.2
[M+H-H2O]+ 232.08344 149.7
[M+HCOO]- 294.08438 175.8
[M+CH3COO]- 308.10003 198.4
[M+Na-2H]- 270.06085 164.9
[M]+ 249.08563 151.7
[M]- 249.08673 151.7
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.