CID 172879969

Heptanone-1,n(2)-epsilon-gua

Structural Information

Molecular Formula
C14H17N5O2
SMILES
CCCCCC(=O)CC1=CN=C2N1C(=O)C3=C(N2)N=CN3
InChI
InChI=1S/C14H17N5O2/c1-2-3-4-5-10(20)6-9-7-15-14-18-12-11(16-8-17-12)13(21)19(9)14/h7-8H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKey
AQFVNHGKJQZWLF-UHFFFAOYSA-N
Compound name
7-(2-oxoheptyl)-1,4-dihydroimidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14548 167.1
[M+Na]+ 310.12742 178.6
[M-H]- 286.13092 165.0
[M+NH4]+ 305.17202 180.7
[M+K]+ 326.10136 172.3
[M+H-H2O]+ 270.13546 158.5
[M+HCOO]- 332.13640 184.1
[M+CH3COO]- 346.15205 177.5
[M+Na-2H]- 308.11287 170.3
[M]+ 287.13765 171.6
[M]- 287.13875 171.6
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.