CID 686692

126480-58-8

Structural Information

Molecular Formula
C15H22N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=N)N3CCOCC3
InChI
InChI=1S/C15H22N6O3/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20/h10,16H,3-9H2,1-2H3
InChIKey
GISBIQZJHKMYAB-UHFFFAOYSA-N
Compound name
7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.17532 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18260 181.6
[M+Na]+ 357.16454 191.1
[M-H]- 333.16804 183.9
[M+NH4]+ 352.20914 189.9
[M+K]+ 373.13848 186.8
[M+H-H2O]+ 317.17258 170.9
[M+HCOO]- 379.17352 196.5
[M+CH3COO]- 393.18917 212.9
[M+Na-2H]- 355.14999 183.0
[M]+ 334.17477 183.5
[M]- 334.17587 183.5
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.