CID 199841

5096-27-5

Structural Information

Molecular Formula
C16H23N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CC=C)CC=C)O
InChI
InChI=1S/C16H23N5O3/c1-5-7-20(8-6-2)9-12(22)10-21-11-17-14-13(21)15(23)19(4)16(24)18(14)3/h5-6,11-12,22H,1-2,7-10H2,3-4H3
InChIKey
YFKGNQQSCJXSDJ-UHFFFAOYSA-N
Compound name
7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.18008 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18736 178.9
[M+Na]+ 356.16930 189.8
[M+NH4]+ 351.21390 181.9
[M+K]+ 372.14324 187.1
[M-H]- 332.17280 176.8
[M+Na-2H]- 354.15475 180.4
[M]+ 333.17953 179.3
[M]- 333.18063 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.