CID 508035

Schembl5460983

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₂

SMILES

CCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCC3

InChI

InChI=1S/C18H26N2O2/c1-2-3-4-5-6-11-16-12-14-13-20(15-9-7-8-10-15)18(21)19-17(14)22-16/h12-13,15H,2-11H2,1H3

InChIKey

YHYHBTUONCWYBH-UHFFFAOYSA-N

Compound name

3-cyclopentyl-6-heptylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 302.19943 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.20671	173.1
[M+Na]+	325.18865	181.1
[M-H]-	301.19215	178.6
[M+NH4]+	320.23325	189.1
[M+K]+	341.16259	177.4
[M+H-H2O]+	285.19669	165.0
[M+HCOO]-	347.19763	193.1
[M+CH3COO]-	361.21328	204.1
[M+Na-2H]-	323.17410	173.7
[M]+	302.19888	177.4
[M]-	302.19998	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe