CID 5273887

Schembl14430899

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-2-3-4-5-6-7-8-12-15-21-16-20-17-24-23(25-22(20)27-21)26-18-19-13-10-9-11-14-19/h9-11,13-14,16-17H,2-8,12,15,18H2,1H3

InChIKey

WPBREFGZVZQDRH-UHFFFAOYSA-N

Compound name

6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 366.23074 Da
Monoisotopic Mass: 7.7
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]+	367.23802	192.9
[M+Na]+	389.21996	199.6
[M-H]-	365.22346	197.5
[M+NH4]+	384.26456	204.0
[M+K]+	405.19390	194.5
[M+H-H2O]+	349.22800	182.3
[M+HCOO]-	411.22894	212.8
[M+CH3COO]-	425.24459	217.5
[M+Na-2H]-	387.20541	196.2
[M]+	366.23019	200.9
[M]-	366.23129	200.9

Literature stripe

literature stripe

Patent stripe

patents stripe