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 172.6
[M+Na]+ 311.20937 177.3
[M-H]- 287.21287 174.4
[M+NH4]+ 306.25397 186.7
[M+K]+ 327.18331 173.6
[M+H-H2O]+ 271.21741 164.1
[M+HCOO]- 333.21835 186.9
[M+CH3COO]- 347.23400 203.0
[M+Na-2H]- 309.19482 173.5
[M]+ 288.21960 170.7
[M]- 288.22070 170.7
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.