CID 511883

2-amino-9-[1,3-bis(isopropoxy)-2-propoxymethyl]purine

Structural Information

Molecular Formula
C15H27N5O3
SMILES
CC(C)OCC(COC(C)C)OCN1C=NC2=C1NC(=NC2)N
InChI
InChI=1S/C15H27N5O3/c1-10(2)21-6-12(7-22-11(3)4)23-9-20-8-18-13-5-17-15(16)19-14(13)20/h8,10-12H,5-7,9H2,1-4H3,(H3,16,17,19)
InChIKey
ZCEKLNJDAIPWOS-UHFFFAOYSA-N
Compound name
9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]-3,6-dihydropurin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.2114 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21868 179.3
[M+Na]+ 348.20062 183.7
[M-H]- 324.20412 176.2
[M+NH4]+ 343.24522 189.5
[M+K]+ 364.17456 181.6
[M+H-H2O]+ 308.20866 169.9
[M+HCOO]- 370.20960 192.4
[M+CH3COO]- 384.22525 211.0
[M+Na-2H]- 346.18607 178.5
[M]+ 325.21085 181.2
[M]- 325.21195 181.2
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.