CID 655637

102838-05-1

Structural Information

Molecular Formula
C19H23N5O5
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=CC=C4)O
InChI
InChI=1S/C19H23N5O5/c1-22-16-15(17(26)21-19(22)27)24(18(20-16)23-7-9-28-10-8-23)11-13(25)12-29-14-5-3-2-4-6-14/h2-6,13,25H,7-12H2,1H3,(H,21,26,27)
InChIKey
PAOWQLOMPFANJX-UHFFFAOYSA-N
Compound name
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

401.16992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17720 194.2
[M+Na]+ 424.15914 202.0
[M-H]- 400.16264 196.9
[M+NH4]+ 419.20374 197.8
[M+K]+ 440.13308 196.9
[M+H-H2O]+ 384.16718 182.5
[M+HCOO]- 446.16812 205.0
[M+CH3COO]- 460.18377 201.4
[M+Na-2H]- 422.14459 194.7
[M]+ 401.16937 195.3
[M]- 401.17047 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.