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]+ 237.145846 152.8
[M+Na]+ 259.127788 161.6
[M-H]- 235.131294 152.6
[M+NH4]+ 254.172393 167.5
[M+K]+ 275.101728 159.2
[M+H-H2O]+ 219.135830 143.7
[M+HCOO]- 281.136771 173.5
[M+CH3COO]- 295.152421 198.0
[M+Na-2H]- 257.113236 158.4
[M]+ 236.13802142 154.7
[M]- 236.13911858 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.