CID 5273868

Schembl14430898

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CC3CCCCC3
InChI
InChI=1S/C23H36N2O2/c1-2-3-4-5-6-7-8-12-15-21-16-20-18-25(23(26)24-22(20)27-21)17-19-13-10-9-11-14-19/h16,18-19H,2-15,17H2,1H3
InChIKey
XXQLEWUKOVQRCQ-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)-6-decylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

372.27768 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 196.0
[M+Na]+ 395.26690 200.8
[M-H]- 371.27040 199.8
[M+NH4]+ 390.31150 206.9
[M+K]+ 411.24084 195.7
[M+H-H2O]+ 355.27494 185.7
[M+HCOO]- 417.27588 211.8
[M+CH3COO]- 431.29153 219.1
[M+Na-2H]- 393.25235 195.5
[M]+ 372.27713 199.5
[M]- 372.27823 199.5
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

patents stripe