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]+ 322.150976 174.7
[M+Na]+ 344.132918 184.6
[M-H]- 320.136424 175.3
[M+NH4]+ 339.177523 184.5
[M+K]+ 360.106858 179.8
[M+H-H2O]+ 304.140960 164.8
[M+HCOO]- 366.141901 188.6
[M+CH3COO]- 380.157551 204.6
[M+Na-2H]- 342.118366 175.5
[M]+ 321.14315142 176.0
[M]- 321.14424858 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.