CID 118051

33235-92-6

Structural Information

Molecular Formula
C13H17FN2O
SMILES
CCOC(C1=CC(=CC=C1)F)C2=NCCCN2
InChI
InChI=1S/C13H17FN2O/c1-2-17-12(13-15-7-4-8-16-13)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)
InChIKey
VPFUOBXRNMBNCX-UHFFFAOYSA-N
Compound name
2-[ethoxy-(3-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13249 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13977 155.4
[M+Na]+ 259.12171 167.2
[M+NH4]+ 254.16631 162.5
[M+K]+ 275.09565 160.4
[M-H]- 235.12521 156.7
[M+Na-2H]- 257.10716 162.1
[M]+ 236.13194 157.2
[M]- 236.13304 157.2
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.