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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 165.3
[M+Na]+ 294.15768 172.1
[M-H]- 270.16118 170.4
[M+NH4]+ 289.20228 179.2
[M+K]+ 310.13162 169.1
[M+H-H2O]+ 254.16572 155.2
[M+HCOO]- 316.16666 188.0
[M+CH3COO]- 330.18231 205.9
[M+Na-2H]- 292.14313 170.6
[M]+ 271.16791 168.7
[M]- 271.16901 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.