CID 118038

33210-47-8

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]+ 295.18163 169.9
[M+Na]+ 317.16357 176.6
[M-H]- 293.16707 170.9
[M+NH4]+ 312.20817 184.0
[M+K]+ 333.13751 172.9
[M+H-H2O]+ 277.17161 160.6
[M+HCOO]- 339.17255 184.9
[M+CH3COO]- 353.18820 202.0
[M+Na-2H]- 315.14902 171.7
[M]+ 294.17380 168.6
[M]- 294.17490 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.