CID 135666517

Biolf 143

Structural Information

Molecular Formula
C12H18N6O4
SMILES
CN(C)/C=N/C1=NC2=C(C(=O)N1)N=CN2COC(CO)CO
InChI
InChI=1S/C12H18N6O4/c1-17(2)5-14-12-15-10-9(11(21)16-12)13-6-18(10)7-22-8(3-19)4-20/h5-6,8,19-20H,3-4,7H2,1-2H3,(H,15,16,21)/b14-5+
InChIKey
GDQDKKCGUKUZBT-LHHJGKSTSA-N
Compound name
N'-[9-(1,3-dihydroxypropan-2-yloxymethyl)-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.13895 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.146226 167.9
[M+Na]+ 333.128168 176.2
[M-H]- 309.131674 167.1
[M+NH4]+ 328.172773 179.0
[M+K]+ 349.102108 173.6
[M+H-H2O]+ 293.136210 158.7
[M+HCOO]- 355.137151 188.0
[M+CH3COO]- 369.152801 207.9
[M+Na-2H]- 331.113616 172.7
[M]+ 310.13840142 172.7
[M]- 310.13949858 172.7
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

No patent data available for this compound.