CID 5273884

Schembl14430893

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.26202 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 191.2
[M+Na]+ 369.25124 197.2
[M-H]- 345.25474 192.5
[M+NH4]+ 364.29584 203.7
[M+K]+ 385.22518 193.7
[M+H-H2O]+ 329.25928 181.9
[M+HCOO]- 391.26022 209.5
[M+CH3COO]- 405.27587 216.6
[M+Na-2H]- 367.23669 192.2
[M]+ 346.26147 200.7
[M]- 346.26257 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

No literature data available for this compound.

Patent stripe

patents stripe