CID 5273875

3-(cyclopentylmethyl)-6-decyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CC3CCCC3
InChI
InChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-14-20-15-19-17-24(16-18-12-10-11-13-18)22(25)23-21(19)26-20/h15,17-18H,2-14,16H2,1H3
InChIKey
XCOKDWKICFOINP-UHFFFAOYSA-N
Compound name
3-(cyclopentylmethyl)-6-decylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 191.4
[M+Na]+ 381.25124 197.6
[M-H]- 357.25474 196.1
[M+NH4]+ 376.29584 205.0
[M+K]+ 397.22518 193.0
[M+H-H2O]+ 341.25928 182.5
[M+HCOO]- 403.26022 209.9
[M+CH3COO]- 417.27587 215.8
[M+Na-2H]- 379.23669 189.8
[M]+ 358.26147 197.0
[M]- 358.26257 197.0
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.