CID 118035

33210-42-3

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O

SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-4-19-13(11-6-5-7-12(16)8-11)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)

InChIKey

BJZGGPBBOQDMIC-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)-ethoxymethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.13425 Da
Monoisotopic Mass: 3.0
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]+	281.141526	164.4
[M+Na]+	303.123468	171.3
[M-H]-	279.126974	166.4
[M+NH4]+	298.168073	179.7
[M+K]+	319.097408	166.0
[M+H-H2O]+	263.131510	156.6
[M+HCOO]-	325.132451	176.1
[M+CH3COO]-	339.148101	196.8
[M+Na-2H]-	301.108916	167.6
[M]+	280.13370142	164.0
[M]-	280.13479858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.