CID 172879927

2-oxo-heptanone-epsilon-gua

Structural Information

Molecular Formula
C14H17N5O3
SMILES
CCCCCC(=O)CC1=CN=C2N1C(=O)C3=C(N2)NC(=O)N3
InChI
InChI=1S/C14H17N5O3/c1-2-3-4-5-9(20)6-8-7-15-13-17-11-10(12(21)19(8)13)16-14(22)18-11/h7H,2-6H2,1H3,(H,15,17)(H2,16,18,22)
InChIKey
FZHSGOXVFKIUDX-UHFFFAOYSA-N
Compound name
7-(2-oxoheptyl)-3,4-dihydro-1H-imidazo[1,2-a]purine-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13315 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14043 170.4
[M+Na]+ 326.12237 182.4
[M-H]- 302.12587 167.5
[M+NH4]+ 321.16697 182.8
[M+K]+ 342.09631 175.3
[M+H-H2O]+ 286.13041 162.5
[M+HCOO]- 348.13135 186.2
[M+CH3COO]- 362.14700 180.3
[M+Na-2H]- 324.10782 172.5
[M]+ 303.13260 174.2
[M]- 303.13370 174.2
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.