CID 135480680

91898-02-1

Structural Information

Molecular Formula
C10H16N6O3
SMILES
CN(C)C1=NC2=C(N1COCCO)N=C(NC2=O)N
InChI
InChI=1S/C10H16N6O3/c1-15(2)10-12-6-7(13-9(11)14-8(6)18)16(10)5-19-4-3-17/h17H,3-5H2,1-2H3,(H3,11,13,14,18)
InChIKey
ITUXUQYNYXPKBM-UHFFFAOYSA-N
Compound name
2-amino-8-(dimethylamino)-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

268.1284 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13568 158.7
[M+Na]+ 291.11762 169.1
[M-H]- 267.12112 157.9
[M+NH4]+ 286.16222 171.8
[M+K]+ 307.09156 165.8
[M+H-H2O]+ 251.12566 150.1
[M+HCOO]- 313.12660 179.4
[M+CH3COO]- 327.14225 201.0
[M+Na-2H]- 289.10307 163.6
[M]+ 268.12785 162.2
[M]- 268.12895 162.2
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.