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

literature stripe

Patent stripe

patents stripe