CID 2991380

333769-06-5

Structural Information

Molecular Formula
C14H21N5O3
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCOC
InChI
InChI=1S/C14H21N5O3/c1-17-11-10(12(20)16-14(17)21)19(8-9-22-2)13(15-11)18-6-4-3-5-7-18/h3-9H2,1-2H3,(H,16,20,21)
InChIKey
SEOJQXDTEPLCFB-UHFFFAOYSA-N
Compound name
7-(2-methoxyethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16443 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17171 173.6
[M+Na]+ 330.15365 183.7
[M-H]- 306.15715 173.8
[M+NH4]+ 325.19825 184.0
[M+K]+ 346.12759 178.1
[M+H-H2O]+ 290.16169 163.3
[M+HCOO]- 352.16263 188.0
[M+CH3COO]- 366.17828 202.8
[M+Na-2H]- 328.13910 175.1
[M]+ 307.16388 174.7
[M]- 307.16498 174.7
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.