CID 21550

5426-72-2

Structural Information

Molecular Formula
C14H23N5O3
SMILES
CCN(CC)CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C14H23N5O3/c1-6-19(7-2)8-9-22-13-15-11-10(16(13)3)12(20)18(5)14(21)17(11)4/h6-9H2,1-5H3
InChIKey
CJFBPYHVVXKJQQ-UHFFFAOYSA-N
Compound name
8-[2-(diethylamino)ethoxy]-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.18008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18736 172.3
[M+Na]+ 332.16930 184.7
[M-H]- 308.17280 174.6
[M+NH4]+ 327.21390 186.2
[M+K]+ 348.14324 181.8
[M+H-H2O]+ 292.17734 163.4
[M+HCOO]- 354.17828 194.1
[M+CH3COO]- 368.19393 214.7
[M+Na-2H]- 330.15475 174.7
[M]+ 309.17953 182.6
[M]- 309.18063 182.6
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

patents stripe