CID 135428792

3'-amino-2',3'-dideoxyguanosine

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)N
InChI
InChI=1S/C10H14N6O3/c11-4-1-6(19-5(4)2-17)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2,11H2,(H3,12,14,15,18)/t4-,5+,6+/m0/s1
InChIKey
HOQBPAWPBCAUGA-KVQBGUIXSA-N
Compound name
2-amino-9-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

266.11273 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.5
[M+Na]+ 289.10195 167.8
[M-H]- 265.10545 159.2
[M+NH4]+ 284.14655 170.0
[M+K]+ 305.07589 163.9
[M+H-H2O]+ 249.10999 149.4
[M+HCOO]- 311.11093 175.5
[M+CH3COO]- 325.12658 168.4
[M+Na-2H]- 287.08740 159.3
[M]+ 266.11218 155.7
[M]- 266.11328 155.7
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