CID 5273877

3-heptyl-6-hexyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCCCCCN1C=C2C=C(OC2=NC1=O)CCCCCC
InChI
InChI=1S/C19H30N2O2/c1-3-5-7-9-11-13-21-15-16-14-17(12-10-8-6-4-2)23-18(16)20-19(21)22/h14-15H,3-13H2,1-2H3
InChIKey
BPLSCXHHBZURCO-UHFFFAOYSA-N
Compound name
3-heptyl-6-hexylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.4
[M+Na]+ 341.21996 188.9
[M-H]- 317.22346 182.4
[M+NH4]+ 336.26456 194.5
[M+K]+ 357.19390 184.8
[M+H-H2O]+ 301.22800 171.8
[M+HCOO]- 363.22894 200.6
[M+CH3COO]- 377.24459 210.4
[M+Na-2H]- 339.20541 183.1
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.