CID 135412756

2-amino-9-[2-[(e)-propylideneamino]oxyethoxymethyl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H16N6O3
SMILES
CC/C=N/OCCOCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C11H16N6O3/c1-2-3-14-20-5-4-19-7-17-6-13-8-9(17)15-11(12)16-10(8)18/h3,6H,2,4-5,7H2,1H3,(H3,12,15,16,18)/b14-3+
InChIKey
RYOYFGZCRZENDX-LZWSPWQCSA-N
Compound name
2-amino-9-[2-[(E)-propylideneamino]oxyethoxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1284 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 160.2
[M+Na]+ 303.11762 170.3
[M-H]- 279.12112 160.0
[M+NH4]+ 298.16222 173.3
[M+K]+ 319.09156 166.5
[M+H-H2O]+ 263.12566 150.7
[M+HCOO]- 325.12660 183.3
[M+CH3COO]- 339.14225 202.6
[M+Na-2H]- 301.10307 167.0
[M]+ 280.12785 165.3
[M]- 280.12895 165.3
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.