CID 481078

1,n2-ethenoguanosine

Structural Information

Molecular Formula
C12H13N5O5
SMILES
C1=CN2C(=O)C3=C(NC2=N1)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C12H13N5O5/c18-3-5-7(19)8(20)11(22-5)17-4-14-6-9(17)15-12-13-1-2-16(12)10(6)21/h1-2,4-5,7-8,11,18-20H,3H2,(H,13,15)/t5-,7-,8-,11-/m1/s1
InChIKey
KWHCYYFJRRSHQF-IOSLPCCCSA-N
Compound name
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

307.09167 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09895 165.2
[M+Na]+ 330.08089 177.5
[M-H]- 306.08439 166.3
[M+NH4]+ 325.12549 177.3
[M+K]+ 346.05483 173.7
[M+H-H2O]+ 290.08893 158.9
[M+HCOO]- 352.08987 179.5
[M+CH3COO]- 366.10552 176.0
[M+Na-2H]- 328.06634 165.3
[M]+ 307.09112 168.7
[M]- 307.09222 168.7
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

No patent data available for this compound.