CID 433871

9-(3-amino-2-hydroxypropyl)-6-dimethylaminopurine dihydrochloride

Structural Information

Molecular Formula
C10H16N6O
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC(CN)O
InChI
InChI=1S/C10H16N6O/c1-15(2)9-8-10(13-5-12-9)16(6-14-8)4-7(17)3-11/h5-7,17H,3-4,11H2,1-2H3
InChIKey
NMAISKFWACZSSO-UHFFFAOYSA-N
Compound name
1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13857 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14585 152.8
[M+Na]+ 259.12779 161.6
[M-H]- 235.13129 152.6
[M+NH4]+ 254.17239 167.5
[M+K]+ 275.10173 159.2
[M+H-H2O]+ 219.13583 143.7
[M+HCOO]- 281.13677 173.5
[M+CH3COO]- 295.15242 198.0
[M+Na-2H]- 257.11324 158.4
[M]+ 236.13802 154.7
[M]- 236.13912 154.7
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.