CID 15955934

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

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCCCC1=CC2=CN=C(N=C2O1)OC(C)CCC
InChI
InChI=1S/C17H26N2O2/c1-4-6-7-8-10-15-11-14-12-18-17(19-16(14)21-15)20-13(3)9-5-2/h11-13H,4-10H2,1-3H3
InChIKey
BHHNWJVZGOMPJD-UHFFFAOYSA-N
Compound name
6-hexyl-2-pentan-2-yloxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.19943 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.5
[M+Na]+ 313.18865 180.3
[M-H]- 289.19215 174.6
[M+NH4]+ 308.23325 187.4
[M+K]+ 329.16259 177.8
[M+H-H2O]+ 273.19669 164.1
[M+HCOO]- 335.19763 192.2
[M+CH3COO]- 349.21328 204.8
[M+Na-2H]- 311.17410 175.8
[M]+ 290.19888 180.7
[M]- 290.19998 180.7
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.