CID 5273881

Schembl5460128

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCCCCC1=CC2=CN=C(N=C2O1)OC(CC)CC
InChI
InChI=1S/C18H28N2O2/c1-4-7-8-9-10-11-16-12-14-13-19-18(20-17(14)21-16)22-15(5-2)6-3/h12-13,15H,4-11H2,1-3H3
InChIKey
RBGVXYRVIRTKTH-UHFFFAOYSA-N
Compound name
6-heptyl-2-pentan-3-yloxyfuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.2151 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 177.2
[M+Na]+ 327.20432 184.6
[M-H]- 303.20782 179.1
[M+NH4]+ 322.24892 191.5
[M+K]+ 343.17826 181.8
[M+H-H2O]+ 287.21236 168.6
[M+HCOO]- 349.21330 196.6
[M+CH3COO]- 363.22895 207.8
[M+Na-2H]- 325.18977 179.9
[M]+ 304.21455 185.8
[M]- 304.21565 185.8
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