CID 3025161

102207-83-0

Structural Information

Molecular Formula

C₁₆H₂₁N₃O

SMILES

CCN(CC)C1=NC(=NC(=C1)C)COC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O/c1-4-19(5-2)16-11-13(3)17-15(18-16)12-20-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3

InChIKey

NJPMUFLPSNAXLP-UHFFFAOYSA-N

Compound name

N,N-diethyl-6-methyl-2-(phenoxymethyl)pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.16846 Da
Monoisotopic Mass: 3.3
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]+	272.175736	165.3
[M+Na]+	294.157678	172.1
[M-H]-	270.161184	170.4
[M+NH4]+	289.202283	179.2
[M+K]+	310.131618	169.1
[M+H-H2O]+	254.165720	155.2
[M+HCOO]-	316.166661	188.0
[M+CH3COO]-	330.182311	205.9
[M+Na-2H]-	292.143126	170.6
[M]+	271.16791142	168.7
[M]-	271.16900858	168.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.