CID 135491415

2'-amino-2'-deoxyguanosine

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N=C(NC2=O)N
InChI
InChI=1S/C10H14N6O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1,11H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
InChIKey
ROPTVRLUGSPXNH-DXTOWSMRSA-N
Compound name
2-amino-9-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

791
Patents

282.10767 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.114946 161.4
[M+Na]+ 305.096888 171.8
[M-H]- 281.100394 162.2
[M+NH4]+ 300.141493 172.7
[M+K]+ 321.070828 167.8
[M+H-H2O]+ 265.104930 153.8
[M+HCOO]- 327.105871 177.9
[M+CH3COO]- 341.121521 171.7
[M+Na-2H]- 303.082336 162.2
[M]+ 282.10712142 159.7
[M]- 282.10821858 159.7
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