CID 118043

33210-60-5

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O

SMILES

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

InChI

InChI=1S/C14H19ClN2O/c1-3-18-13(11-5-4-6-12(15)7-11)14-16-8-10(2)9-17-14/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17)

InChIKey

YYNQIESSVFTICM-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)-ethoxymethyl]-5-methyl-1,4,5,6-tetrahydropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1186 Da
Monoisotopic Mass: 2.6
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]+	267.125876	161.0
[M+Na]+	289.107818	167.4
[M-H]-	265.111324	162.7
[M+NH4]+	284.152423	174.8
[M+K]+	305.081758	161.9
[M+H-H2O]+	249.115860	152.8
[M+HCOO]-	311.116801	172.9
[M+CH3COO]-	325.132451	194.3
[M+Na-2H]-	287.093266	163.6
[M]+	266.11805142	160.0
[M]-	266.11914858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.