CID 5273886

Schembl14430888

Structural Information

Molecular Formula

C₂₀H₃₂N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OCCCC

InChI

InChI=1S/C20H32N2O2/c1-3-5-7-8-9-10-11-12-13-18-15-17-16-21-20(22-19(17)24-18)23-14-6-4-2/h15-16H,3-14H2,1-2H3

InChIKey

KVQDHBIQLVYIOW-UHFFFAOYSA-N

Compound name

2-butoxy-6-decylfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 332.24637 Da
Monoisotopic Mass: 7.5
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]+	333.25365	185.6
[M+Na]+	355.23559	192.4
[M-H]-	331.23909	187.0
[M+NH4]+	350.28019	198.8
[M+K]+	371.20953	188.7
[M+H-H2O]+	315.24363	176.4
[M+HCOO]-	377.24457	205.3
[M+CH3COO]-	391.26022	212.8
[M+Na-2H]-	353.22104	188.4
[M]+	332.24582	195.5
[M]-	332.24692	195.5

Literature stripe

literature stripe

Patent stripe

patents stripe