CID 89253

19971-97-2

Structural Information

Molecular Formula
C16H26N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCO)O
InChI
InChI=1S/C16H26N6O4/c1-18-14-13(15(25)19(2)16(18)26)22(11-17-14)10-12(24)9-21-5-3-20(4-6-21)7-8-23/h11-12,23-24H,3-10H2,1-2H3
InChIKey
CGKZFYZCYGGHLU-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20154 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20882 190.3
[M+Na]+ 389.19076 199.3
[M-H]- 365.19426 188.3
[M+NH4]+ 384.23536 196.4
[M+K]+ 405.16470 193.6
[M+H-H2O]+ 349.19880 180.0
[M+HCOO]- 411.19974 200.3
[M+CH3COO]- 425.21539 213.9
[M+Na-2H]- 387.17621 188.8
[M]+ 366.20099 192.1
[M]- 366.20209 192.1
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.