CID 3062552

98402-30-3

Structural Information

Molecular Formula
C16H24N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCCC3)O
InChI
InChI=1S/C16H24N6O3/c1-19(12-6-4-5-7-17-12)8-11(23)9-22-10-18-14-13(22)15(24)21(3)16(25)20(14)2/h10-11,23H,4-9H2,1-3H3
InChIKey
XHHPPNKIKSBOJY-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-[methyl(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

348.19098 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19826 183.2
[M+Na]+ 371.18020 192.4
[M-H]- 347.18370 185.4
[M+NH4]+ 366.22480 192.5
[M+K]+ 387.15414 188.2
[M+H-H2O]+ 331.18824 172.7
[M+HCOO]- 393.18918 199.1
[M+CH3COO]- 407.20483 216.8
[M+Na-2H]- 369.16565 184.2
[M]+ 348.19043 186.5
[M]- 348.19153 186.5
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.