CID 135491495

2'-azido-2'-deoxyguanosine

Structural Information

Molecular Formula
C10H12N8O4
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N=[N+]=[N-])N=C(NC2=O)N
InChI
InChI=1S/C10H12N8O4/c11-10-14-7-5(8(21)15-10)13-2-18(7)9-4(16-17-12)6(20)3(1-19)22-9/h2-4,6,9,19-20H,1H2,(H3,11,14,15,21)/t3-,4-,6-,9-/m1/s1
InChIKey
PHGQZPFEHQOLJM-DXTOWSMRSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

829
Patents

308.09814 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10542 162.4
[M+Na]+ 331.08736 171.1
[M-H]- 307.09086 166.3
[M+NH4]+ 326.13196 172.8
[M+K]+ 347.06130 162.9
[M+H-H2O]+ 291.09540 157.9
[M+HCOO]- 353.09634 185.0
[M+CH3COO]- 367.11199 201.7
[M+Na-2H]- 329.07281 170.3
[M]+ 308.09759 159.3
[M]- 308.09869 159.3
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