CID 118037

33210-44-5

Structural Information

Molecular Formula

C₁₇H₂₆N₂O

SMILES

CCC1(CNC(=NC1)C(C2=CC=CC=C2)OCC)CC

InChI

InChI=1S/C17H26N2O/c1-4-17(5-2)12-18-16(19-13-17)15(20-6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,18,19)

InChIKey

OWQPLCHSBZKODS-UHFFFAOYSA-N

Compound name

2-[ethoxy(phenyl)methyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.2045 Da
Monoisotopic Mass: 3.1
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]+	275.211776	168.9
[M+Na]+	297.193718	173.3
[M-H]-	273.197224	170.4
[M+NH4]+	292.238323	183.3
[M+K]+	313.167658	169.2
[M+H-H2O]+	257.201760	160.0
[M+HCOO]-	319.202701	184.5
[M+CH3COO]-	333.218351	197.9
[M+Na-2H]-	295.179166	172.1
[M]+	274.20395142	166.8
[M]-	274.20504858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.