CID 118062

Brn 0805305

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]+ 261.19615 164.8
[M+Na]+ 283.17809 177.2
[M+NH4]+ 278.22269 173.8
[M+K]+ 299.15203 168.0
[M-H]- 259.18159 167.6
[M+Na-2H]- 281.16354 173.2
[M]+ 260.18832 167.5
[M]- 260.18942 167.5
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.