CID 508047

Schembl5466195

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₂

SMILES

CCCCCCCC1=CC2=CN=C(N=C2O1)OC3CCCC3

InChI

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

InChIKey

IMJWTTTUHMXNRE-UHFFFAOYSA-N

Compound name

2-cyclopentyloxy-6-heptylfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 302.19943 Da
Monoisotopic Mass: 5.9
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	179.9
[M-H]-	301.19215	178.2
[M+NH4]+	320.23325	188.8
[M+K]+	341.16259	176.9
[M+H-H2O]+	285.19669	164.6
[M+HCOO]-	347.19763	192.9
[M+CH3COO]-	361.21328	203.6
[M+Na-2H]-	323.17410	174.5
[M]+	302.19888	177.7
[M]-	302.19998	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe