CID 15955937

6-decyl-2-(1-methylbutoxy)furo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OC(C)CCC
InChI
InChI=1S/C21H34N2O2/c1-4-6-7-8-9-10-11-12-14-19-15-18-16-22-21(23-20(18)25-19)24-17(3)13-5-2/h15-17H,4-14H2,1-3H3
InChIKey
PXJORKGIMRKAMS-UHFFFAOYSA-N
Compound name
6-decyl-2-pentan-2-yloxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.26202 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.269296 191.2
[M+Na]+ 369.251238 197.2
[M-H]- 345.254744 192.5
[M+NH4]+ 364.295843 203.7
[M+K]+ 385.225178 193.7
[M+H-H2O]+ 329.259280 181.9
[M+HCOO]- 391.260221 209.5
[M+CH3COO]- 405.275871 216.6
[M+Na-2H]- 367.236686 192.2
[M]+ 346.26147142 200.7
[M]- 346.26256858 200.7
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.