CID 6482290

Chembl193074

Structural Information

Molecular Formula
C15H23N3O3
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2N1)COCCO
InChI
InChI=1S/C15H23N3O3/c1-2-3-4-5-6-13-9-12-10-18(11-21-8-7-19)15(20)17-14(12)16-13/h9-10,19H,2-8,11H2,1H3,(H,16,17,20)
InChIKey
VKLWWXAXFOGTBR-UHFFFAOYSA-N
Compound name
6-hexyl-3-(2-hydroxyethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.17395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18123 169.3
[M+Na]+ 316.16317 178.2
[M-H]- 292.16667 167.3
[M+NH4]+ 311.20777 182.7
[M+K]+ 332.13711 172.9
[M+H-H2O]+ 276.17121 160.9
[M+HCOO]- 338.17215 187.6
[M+CH3COO]- 352.18780 198.4
[M+Na-2H]- 314.14862 172.6
[M]+ 293.17340 174.8
[M]- 293.17450 174.8
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.