CID 52916

6-nonanamidopurine

Structural Information

Molecular Formula
C14H21N5O
SMILES
CCCCCCCCC(=O)NC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C14H21N5O/c1-2-3-4-5-6-7-8-11(20)19-14-12-13(16-9-15-12)17-10-18-14/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19,20)
InChIKey
PWAIIGWJBQDVJF-UHFFFAOYSA-N
Compound name
N-(7H-purin-6-yl)nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17462 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18190 165.8
[M+Na]+ 298.16384 173.0
[M-H]- 274.16734 163.4
[M+NH4]+ 293.20844 178.5
[M+K]+ 314.13778 168.0
[M+H-H2O]+ 258.17188 156.0
[M+HCOO]- 320.17282 184.4
[M+CH3COO]- 334.18847 199.3
[M+Na-2H]- 296.14929 171.0
[M]+ 275.17407 168.3
[M]- 275.17517 168.3
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.