CID 3070276

86257-08-1

Structural Information

Molecular Formula
C16H26N4O4
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CCCC(CO)O
InChI
InChI=1S/C16H26N4O4/c1-3-7-19-14-13(15(23)20(8-4-2)16(19)24)18(11-17-14)9-5-6-12(22)10-21/h11-12,21-22H,3-10H2,1-2H3
InChIKey
QGMVTZCLESICHT-UHFFFAOYSA-N
Compound name
7-(4,5-dihydroxypentyl)-1,3-dipropylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20268 181.2
[M+Na]+ 361.18462 191.2
[M-H]- 337.18812 178.7
[M+NH4]+ 356.22922 191.8
[M+K]+ 377.15856 186.1
[M+H-H2O]+ 321.19266 172.6
[M+HCOO]- 383.19360 197.1
[M+CH3COO]- 397.20925 209.2
[M+Na-2H]- 359.17007 181.4
[M]+ 338.19485 188.4
[M]- 338.19595 188.4
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.