CID 5273867

Schembl5459816

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCO3
InChI
InChI=1S/C17H24N2O3/c1-2-3-4-5-6-8-14-11-13-12-19(15-9-7-10-21-15)17(20)18-16(13)22-14/h11-12,15H,2-10H2,1H3
InChIKey
ZGXBBFLNFMTKQZ-UHFFFAOYSA-N
Compound name
6-heptyl-3-(oxolan-2-yl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

304.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 171.7
[M+Na]+ 327.16790 180.2
[M-H]- 303.17140 178.0
[M+NH4]+ 322.21250 186.2
[M+K]+ 343.14184 178.2
[M+H-H2O]+ 287.17594 164.2
[M+HCOO]- 349.17688 191.2
[M+CH3COO]- 363.19253 203.4
[M+Na-2H]- 325.15335 173.4
[M]+ 304.17813 177.7
[M]- 304.17923 177.7
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