CID 501445

2-[3-(6-aminopurin-9-yl)propyl]propane-1,2,3-triol

Structural Information

Molecular Formula
C11H17N5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCCC(CO)(CO)O)N
InChI
InChI=1S/C11H17N5O3/c12-9-8-10(14-6-13-9)16(7-15-8)3-1-2-11(19,4-17)5-18/h6-7,17-19H,1-5H2,(H2,12,13,14)
InChIKey
VHNBQTVCWKOASI-UHFFFAOYSA-N
Compound name
2-[3-(6-aminopurin-9-yl)propyl]propane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.13315 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 161.5
[M+Na]+ 290.12237 170.0
[M-H]- 266.12587 157.2
[M+NH4]+ 285.16697 173.2
[M+K]+ 306.09631 165.5
[M+H-H2O]+ 250.13041 153.6
[M+HCOO]- 312.13135 177.0
[M+CH3COO]- 326.14700 191.8
[M+Na-2H]- 288.10782 167.9
[M]+ 267.13260 162.4
[M]- 267.13370 162.4
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.