CID 452958

Adenosine, 2',3'-dideoxy-n-hexyl-

Structural Information

Molecular Formula
C16H25N5O2
SMILES
CCCCCCNC1=C2C(=NC=N1)N(C=N2)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C16H25N5O2/c1-2-3-4-5-8-17-15-14-16(19-10-18-15)21(11-20-14)13-7-6-12(9-22)23-13/h10-13,22H,2-9H2,1H3,(H,17,18,19)/t12-,13+/m0/s1
InChIKey
KFLVZRNCRCQSQF-QWHCGFSZSA-N
Compound name
[(2S,5R)-5-[6-(hexylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20084 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20812 175.6
[M+Na]+ 342.19006 182.6
[M-H]- 318.19356 177.4
[M+NH4]+ 337.23466 187.0
[M+K]+ 358.16400 178.9
[M+H-H2O]+ 302.19810 165.7
[M+HCOO]- 364.19904 192.9
[M+CH3COO]- 378.21469 185.0
[M+Na-2H]- 340.17551 177.2
[M]+ 319.20029 178.4
[M]- 319.20139 178.4
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.