CID 5273891

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

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCCCCC1=CC2=CN=C(N=C2O1)OC
InChI
InChI=1S/C13H18N2O2/c1-3-4-5-6-7-11-8-10-9-14-13(16-2)15-12(10)17-11/h8-9H,3-7H2,1-2H3
InChIKey
DYZMESNMAHAWSQ-UHFFFAOYSA-N
Compound name
6-hexyl-2-methoxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 152.9
[M+Na]+ 257.12605 162.9
[M-H]- 233.12955 155.6
[M+NH4]+ 252.17065 170.2
[M+K]+ 273.09999 160.9
[M+H-H2O]+ 217.13409 145.2
[M+HCOO]- 279.13503 175.1
[M+CH3COO]- 293.15068 192.1
[M+Na-2H]- 255.11150 159.6
[M]+ 234.13628 160.4
[M]- 234.13738 160.4
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.