CID 13871040

5-aza-7-deaza-2'-deoxyguanosine

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-3-5(17)6(4-16)19-7/h1-2,5-7,16-17H,3-4H2,(H2,11,13,18)/t5-,6+,7+/m0/s1
InChIKey
SBQDZMTWLNGLQA-RRKCRQDMSA-N
Compound name
2-amino-8-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

267.09674 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 156.5
[M+Na]+ 290.08596 167.5
[M-H]- 266.08946 158.6
[M+NH4]+ 285.13056 169.5
[M+K]+ 306.05990 164.5
[M+H-H2O]+ 250.09400 148.8
[M+HCOO]- 312.09494 174.2
[M+CH3COO]- 326.11059 168.1
[M+Na-2H]- 288.07141 158.6
[M]+ 267.09619 157.7
[M]- 267.09729 157.7
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