CID 476443

Itvzbmxbvbwuik-qjptwqeysa-n

Structural Information

Molecular Formula
C16H16N8O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3OC4=CC=CC=C4)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H16N8O3/c17-16-20-14-13(15(21-16)26-9-4-2-1-3-5-9)19-8-24(14)12-6-10(22-23-18)11(7-25)27-12/h1-5,8,10-12,25H,6-7H2,(H2,17,20,21)/t10-,11+,12+/m0/s1
InChIKey
ITVZBMXBVBWUIK-QJPTWQEYSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-phenoxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

368.13452 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14180 178.2
[M+Na]+ 391.12374 185.2
[M-H]- 367.12724 186.9
[M+NH4]+ 386.16834 186.8
[M+K]+ 407.09768 176.8
[M+H-H2O]+ 351.13178 171.2
[M+HCOO]- 413.13272 202.7
[M+CH3COO]- 427.14837 217.3
[M+Na-2H]- 389.10919 186.6
[M]+ 368.13397 177.2
[M]- 368.13507 177.2
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

patents stripe