CID 118065

33236-10-1

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCOC(C1=CC=CC2=CC=CC=C21)C3=NCC(CN3)(C)C
InChI
InChI=1S/C19H24N2O/c1-4-22-17(18-20-12-19(2,3)13-21-18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,4,12-13H2,1-3H3,(H,20,21)
InChIKey
ORLHXLIZFDRCKV-UHFFFAOYSA-N
Compound name
2-[ethoxy(naphthalen-1-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 173.9
[M+Na]+ 319.17809 179.7
[M-H]- 295.18159 176.5
[M+NH4]+ 314.22269 188.4
[M+K]+ 335.15203 174.3
[M+H-H2O]+ 279.18613 164.2
[M+HCOO]- 341.18707 188.4
[M+CH3COO]- 355.20272 183.1
[M+Na-2H]- 317.16354 178.2
[M]+ 296.18832 171.4
[M]- 296.18942 171.4
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.