CID 447594

2'-amino-2'-deoxyadenosine

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N
InChI
InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey
CQKMBZHLOYVGHW-QYYRPYCUSA-N
Compound name
(2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

997
Patents

266.11273 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.4
[M+Na]+ 289.10195 167.5
[M-H]- 265.10545 159.1
[M+NH4]+ 284.14655 170.0
[M+K]+ 305.07589 164.2
[M+H-H2O]+ 249.10999 149.4
[M+HCOO]- 311.11093 175.3
[M+CH3COO]- 325.12658 168.4
[M+Na-2H]- 287.08740 159.4
[M]+ 266.11218 156.4
[M]- 266.11328 156.4
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