CID 52916

Nonanamide, n-purin-6-yl-

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]+ 276.181896 165.8
[M+Na]+ 298.163838 173.0
[M-H]- 274.167344 163.4
[M+NH4]+ 293.208443 178.5
[M+K]+ 314.137778 168.0
[M+H-H2O]+ 258.171880 156.0
[M+HCOO]- 320.172821 184.4
[M+CH3COO]- 334.188471 199.3
[M+Na-2H]- 296.149286 171.0
[M]+ 275.17407142 168.3
[M]- 275.17516858 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.