CID 5273893

2-benzyloxy-6-hexyl-furo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCCCCCC1=CC2=CN=C(N=C2O1)OCC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O2/c1-2-3-4-8-11-17-12-16-13-20-19(21-18(16)23-17)22-14-15-9-6-5-7-10-15/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3
InChIKey
UFIBEEFIYFZUQZ-UHFFFAOYSA-N
Compound name
6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.16812 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.4
[M+Na]+ 333.15734 183.0
[M-H]- 309.16084 179.9
[M+NH4]+ 328.20194 188.0
[M+K]+ 349.13128 178.9
[M+H-H2O]+ 293.16538 164.8
[M+HCOO]- 355.16632 195.9
[M+CH3COO]- 369.18197 185.9
[M+Na-2H]- 331.14279 180.0
[M]+ 310.16757 181.2
[M]- 310.16867 181.2
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.