CID 134817141

2-amino-4'-c-azido-2'-deoxyadenosine

Structural Information

Molecular Formula
C10H13N9O3
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H13N9O3/c11-7-6-8(16-9(12)15-7)19(3-14-6)5-1-4(21)10(2-20,22-5)17-18-13/h3-5,20-21H,1-2H2,(H4,11,12,15,16)/t4-,5+,10+/m0/s1
InChIKey
BGRFYICBFWRTFS-LBACSGLVSA-N
Compound name
(2R,3S,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.11414 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12142 157.1
[M+Na]+ 330.10336 165.6
[M-H]- 306.10686 161.8
[M+NH4]+ 325.14796 169.6
[M+K]+ 346.07730 158.3
[M+H-H2O]+ 290.11140 152.6
[M+HCOO]- 352.11234 181.5
[M+CH3COO]- 366.12799 205.3
[M+Na-2H]- 328.08881 167.7
[M]+ 307.11359 153.8
[M]- 307.11469 153.8
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

patents stripe