CID 118063

Brn 0816418

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCOC(C1=CC=C(C=C1)C(C)C)C2=NCC(CN2)(C)C
InChI
InChI=1S/C18H28N2O/c1-6-21-16(17-19-11-18(4,5)12-20-17)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,6,11-12H2,1-5H3,(H,19,20)
InChIKey
CRMJRZLMMIGBIV-UHFFFAOYSA-N
Compound name
2-[ethoxy-(4-propan-2-ylphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.0
[M+Na]+ 311.20937 185.0
[M+NH4]+ 306.25397 181.5
[M+K]+ 327.18331 176.4
[M-H]- 287.21287 175.6
[M+Na-2H]- 309.19482 180.3
[M]+ 288.21960 175.5
[M]- 288.22070 175.5
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.