CID 118038

Brn 0824065

Structural Information

Molecular Formula
C16H23FN2O2
SMILES
CCOC(C1=CC(=C(C=C1)OC)F)C2=NCC(CN2)(C)C
InChI
InChI=1S/C16H23FN2O2/c1-5-21-14(15-18-9-16(2,3)10-19-15)11-6-7-13(20-4)12(17)8-11/h6-8,14H,5,9-10H2,1-4H3,(H,18,19)
InChIKey
ZOFWONFMAOYWRI-UHFFFAOYSA-N
Compound name
2-[ethoxy-(3-fluoro-4-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17435 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.181626 169.9
[M+Na]+ 317.163568 176.6
[M-H]- 293.167074 170.9
[M+NH4]+ 312.208173 184.0
[M+K]+ 333.137508 172.9
[M+H-H2O]+ 277.171610 160.6
[M+HCOO]- 339.172551 184.9
[M+CH3COO]- 353.188201 202.0
[M+Na-2H]- 315.149016 171.7
[M]+ 294.17380142 168.6
[M]- 294.17489858 168.6
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.