CID 15955932

6-decyl-3-pentyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CCCCC
InChI
InChI=1S/C21H34N2O2/c1-3-5-7-8-9-10-11-12-14-19-16-18-17-23(15-13-6-4-2)21(24)22-20(18)25-19/h16-17H,3-15H2,1-2H3
InChIKey
JYLGMIJOOKQQDH-UHFFFAOYSA-N
Compound name
6-decyl-3-pentylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.26202 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 189.7
[M+Na]+ 369.25124 197.2
[M-H]- 345.25474 191.3
[M+NH4]+ 364.29584 202.6
[M+K]+ 385.22518 192.6
[M+H-H2O]+ 329.25928 180.7
[M+HCOO]- 391.26022 209.2
[M+CH3COO]- 405.27587 216.3
[M+Na-2H]- 367.23669 191.2
[M]+ 346.26147 199.6
[M]- 346.26257 199.6
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.