CID 15955930

3-(1-methylbutyl)-6-octyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)C(C)CCC
InChI
InChI=1S/C19H30N2O2/c1-4-6-7-8-9-10-12-17-13-16-14-21(15(3)11-5-2)19(22)20-18(16)23-17/h13-15H,4-12H2,1-3H3
InChIKey
GKHQRKDYOWPGHY-UHFFFAOYSA-N
Compound name
6-octyl-3-pentan-2-ylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.23074 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 181.0
[M+Na]+ 341.21996 189.2
[M-H]- 317.22346 183.2
[M+NH4]+ 336.26456 195.1
[M+K]+ 357.19390 185.6
[M+H-H2O]+ 301.22800 172.6
[M+HCOO]- 363.22894 200.2
[M+CH3COO]- 377.24459 211.3
[M+Na-2H]- 339.20541 182.5
[M]+ 318.23019 189.7
[M]- 318.23129 189.7
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.