CID 3505877

332388-36-0

Structural Information

Molecular Formula
C14H19N5O4
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)OC
InChI
InChI=1S/C14H19N5O4/c1-17-11-10(12(21)16-14(17)22)19(8-9(20)23-2)13(15-11)18-6-4-3-5-7-18/h3-8H2,1-2H3,(H,16,21,22)
InChIKey
BLCQYQZYSMFJKB-UHFFFAOYSA-N
Compound name
methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1437 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15098 174.7
[M+Na]+ 344.13292 184.6
[M-H]- 320.13642 175.3
[M+NH4]+ 339.17752 184.5
[M+K]+ 360.10686 179.8
[M+H-H2O]+ 304.14096 164.8
[M+HCOO]- 366.14190 188.6
[M+CH3COO]- 380.15755 204.6
[M+Na-2H]- 342.11837 175.5
[M]+ 321.14315 176.0
[M]- 321.14425 176.0
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.