CID 5273866

Schembl5470194

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCCCCC1=CC2=CN(C(=O)N=C2O1)CCCCC
InChI
InChI=1S/C18H28N2O2/c1-3-5-7-8-9-11-16-13-15-14-20(12-10-6-4-2)18(21)19-17(15)22-16/h13-14H,3-12H2,1-2H3
InChIKey
RAUDTOJNDGSNHN-UHFFFAOYSA-N
Compound name
6-heptyl-3-pentylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.2151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 175.8
[M+Na]+ 327.20432 184.7
[M-H]- 303.20782 178.0
[M+NH4]+ 322.24892 190.5
[M+K]+ 343.17826 180.8
[M+H-H2O]+ 287.21236 167.4
[M+HCOO]- 349.21330 196.3
[M+CH3COO]- 363.22895 207.5
[M+Na-2H]- 325.18977 179.0
[M]+ 304.21455 184.7
[M]- 304.21565 184.7
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