CID 118062

33236-07-6

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCC1(CNC(=NC1)C(C2=CC=CC=C2)OCC)C
InChI
InChI=1S/C16H24N2O/c1-4-16(3)11-17-15(18-12-16)14(19-5-2)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,18)
InChIKey
BYMORBGQWDQSNO-UHFFFAOYSA-N
Compound name
2-[ethoxy(phenyl)methyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 164.5
[M+Na]+ 283.178088 169.3
[M-H]- 259.181594 166.2
[M+NH4]+ 278.222693 179.5
[M+K]+ 299.152028 165.5
[M+H-H2O]+ 243.186130 155.8
[M+HCOO]- 305.187071 180.4
[M+CH3COO]- 319.202721 194.9
[M+Na-2H]- 281.163536 168.2
[M]+ 260.18832142 162.0
[M]- 260.18941858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.