CID 5273888

Schembl14430897

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OCC3CCCCC3
InChI
InChI=1S/C23H36N2O2/c1-2-3-4-5-6-7-8-12-15-21-16-20-17-24-23(25-22(20)27-21)26-18-19-13-10-9-11-14-19/h16-17,19H,2-15,18H2,1H3
InChIKey
IULGTCZMAVZSMS-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethoxy)-6-decylfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

372.27768 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 196.0
[M+Na]+ 395.26690 199.5
[M-H]- 371.27040 199.3
[M+NH4]+ 390.31150 206.6
[M+K]+ 411.24084 195.0
[M+H-H2O]+ 355.27494 185.3
[M+HCOO]- 417.27588 211.6
[M+CH3COO]- 431.29153 218.5
[M+Na-2H]- 393.25235 196.2
[M]+ 372.27713 199.7
[M]- 372.27823 199.7
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

patents stripe