CID 135499584

[(2s,4s)-4-(6-aminopurin-3-yl)-3-methylene-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C=C1[C@@H](CO[C@@H]1CO)N2C=NC(=N)C3=C2N=CN3
InChI
InChI=1S/C11H13N5O2/c1-6-7(3-18-8(6)2-17)16-5-15-10(12)9-11(16)14-4-13-9/h4-5,7-8,12,17H,1-3H2,(H,13,14)/t7-,8-/m1/s1
InChIKey
ZAMUKNANBYEDNH-HTQZYQBOSA-N
Compound name
[(2S,4S)-4-(6-imino-7H-purin-3-yl)-3-methylideneoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10692 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 154.8
[M+Na]+ 270.09614 165.3
[M-H]- 246.09964 156.7
[M+NH4]+ 265.14074 168.7
[M+K]+ 286.07008 160.5
[M+H-H2O]+ 230.10418 146.7
[M+HCOO]- 292.10512 172.6
[M+CH3COO]- 306.12077 166.2
[M+Na-2H]- 268.08159 157.7
[M]+ 247.10637 153.3
[M]- 247.10747 153.3
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.