CID 493500

Cf2200

Structural Information

Molecular Formula

C₁₇H₁₈N₂O₂

SMILES

CCCCCC1=CC=C(C=C1)C2=CC3=C(O2)NC(=O)N=C3

InChI

InChI=1S/C17H18N2O2/c1-2-3-4-5-12-6-8-13(9-7-12)15-10-14-11-18-17(20)19-16(14)21-15/h6-11H,2-5H2,1H3,(H,18,19,20)

InChIKey

KYLGKLGDMGXSLC-UHFFFAOYSA-N

Compound name

6-(4-pentylphenyl)-1H-furo[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 282.13684 Da
Monoisotopic Mass: 4.2
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]+	283.14412	165.2
[M+Na]+	305.12606	175.6
[M-H]-	281.12956	170.2
[M+NH4]+	300.17066	179.6
[M+K]+	321.10000	170.4
[M+H-H2O]+	265.13410	156.7
[M+HCOO]-	327.13504	186.1
[M+CH3COO]-	341.15069	177.3
[M+Na-2H]-	303.11151	170.8
[M]+	282.13629	169.4
[M]-	282.13739	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe