CID 135538673

Lyxoguanine epoxide

Structural Information

Molecular Formula
C10H11N5O4
SMILES
C1=NC2=C(N1[C@H]3C4C(O4)[C@H](O3)CO)N=C(NC2=O)N
InChI
InChI=1S/C10H11N5O4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(19-6)3(1-16)18-9/h2-3,5-6,9,16H,1H2,(H3,11,13,14,17)/t3-,5?,6?,9-/m1/s1
InChIKey
BARIOYCTUQXULP-VKJDSPIKSA-N
Compound name
2-amino-9-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

265.08112 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08840 164.3
[M+Na]+ 288.07034 178.6
[M-H]- 264.07384 168.3
[M+NH4]+ 283.11494 172.7
[M+K]+ 304.04428 173.0
[M+H-H2O]+ 248.07838 157.7
[M+HCOO]- 310.07932 180.3
[M+CH3COO]- 324.09497 175.5
[M+Na-2H]- 286.05579 167.3
[M]+ 265.08057 169.8
[M]- 265.08167 169.8
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

patents stripe