CID 3057154

73972-58-4

Structural Information

Molecular Formula
C16H28N6O3
SMILES
CN1CN(C(=O)C2=C1N=CN2C)CC(CN3CCN(CC3)CCO)O
InChI
InChI=1S/C16H28N6O3/c1-18-11-17-15-14(18)16(25)22(12-19(15)2)10-13(24)9-21-5-3-20(4-6-21)7-8-23/h11,13,23-24H,3-10,12H2,1-2H3
InChIKey
WGDHQEGKGVVBMT-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3,7-dimethyl-2H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2223 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22958 188.8
[M+Na]+ 375.21152 197.1
[M+NH4]+ 370.25612 191.7
[M+K]+ 391.18546 195.4
[M-H]- 351.21502 186.4
[M+Na-2H]- 373.19697 187.9
[M]+ 352.22175 188.6
[M]- 352.22285 188.6
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.