CID 118063

Brn 0816418

Structural Information

Molecular Formula

C₁₈H₂₈N₂O

SMILES

CCOC(C1=CC=C(C=C1)C(C)C)C2=NCC(CN2)(C)C

InChI

InChI=1S/C18H28N2O/c1-6-21-16(17-19-11-18(4,5)12-20-17)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,6,11-12H2,1-5H3,(H,19,20)

InChIKey

CRMJRZLMMIGBIV-UHFFFAOYSA-N

Compound name

2-[ethoxy-(4-propan-2-ylphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.22015 Da
Monoisotopic Mass: 3.5
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]+	289.227426	172.6
[M+Na]+	311.209368	177.3
[M-H]-	287.212874	174.4
[M+NH4]+	306.253973	186.7
[M+K]+	327.183308	173.6
[M+H-H2O]+	271.217410	164.1
[M+HCOO]-	333.218351	186.9
[M+CH3COO]-	347.234001	203.0
[M+Na-2H]-	309.194816	173.5
[M]+	288.21960142	170.7
[M]-	288.22069858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.