CID 118040

33210-49-0

Structural Information

Molecular Formula
C16H23FN2O
SMILES
CCC1(CNC(=NC1)C(C2=CC(=CC=C2)F)OCC)C
InChI
InChI=1S/C16H23FN2O/c1-4-16(3)10-18-15(19-11-16)14(20-5-2)12-7-6-8-13(17)9-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKey
ITTHQSUWVWGHKT-UHFFFAOYSA-N
Compound name
2-[ethoxy-(3-fluorophenyl)methyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17944 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18672 167.1
[M+Na]+ 301.16866 173.0
[M-H]- 277.17216 167.8
[M+NH4]+ 296.21326 181.6
[M+K]+ 317.14260 168.7
[M+H-H2O]+ 261.17670 157.6
[M+HCOO]- 323.17764 182.0
[M+CH3COO]- 337.19329 198.8
[M+Na-2H]- 299.15411 169.5
[M]+ 278.17889 164.0
[M]- 278.17999 164.0
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.