CID 3062558

98402-33-6

Structural Information

Molecular Formula
C17H26N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CCO)C3=NCCCC3)O
InChI
InChI=1S/C17H26N6O4/c1-20-15-14(16(26)21(2)17(20)27)23(11-19-15)10-12(25)9-22(7-8-24)13-5-3-4-6-18-13/h11-12,24-25H,3-10H2,1-2H3
InChIKey
QJKUCVHHIFJTTN-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-[2-hydroxyethyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20154 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20882 189.8
[M+Na]+ 401.19076 197.7
[M-H]- 377.19426 190.5
[M+NH4]+ 396.23536 196.9
[M+K]+ 417.16470 193.3
[M+H-H2O]+ 361.19880 179.3
[M+HCOO]- 423.19974 204.0
[M+CH3COO]- 437.21539 219.7
[M+Na-2H]- 399.17621 190.1
[M]+ 378.20099 192.9
[M]- 378.20209 192.9
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.