CID 3046585

62402-02-2

Structural Information

Molecular Formula
C23H32N6O6
SMILES
CC1CN(CCO1)C2=NC3=C(N2CCCNCC(C4=CC(=C(C=C4)O)O)O)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C23H32N6O6/c1-14-13-28(9-10-35-14)22-25-20-19(21(33)27(3)23(34)26(20)2)29(22)8-4-7-24-12-18(32)15-5-6-16(30)17(31)11-15/h5-6,11,14,18,24,30-32H,4,7-10,12-13H2,1-3H3
InChIKey
HCWKXSUBVVTQEX-UHFFFAOYSA-N
Compound name
7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-(2-methylmorpholin-4-yl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.23834 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.24562 221.0
[M+Na]+ 511.22756 232.3
[M+NH4]+ 506.27216 222.0
[M+K]+ 527.20150 231.1
[M-H]- 487.23106 222.7
[M+Na-2H]- 509.21301 221.5
[M]+ 488.23779 222.6
[M]- 488.23889 222.6
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.