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 154.0
[M+Na]+ 259.12171 159.2
[M-H]- 235.12521 154.3
[M+NH4]+ 254.16631 167.8
[M+K]+ 275.09565 155.2
[M+H-H2O]+ 219.12975 144.2
[M+HCOO]- 281.13069 169.8
[M+CH3COO]- 295.14634 189.1
[M+Na-2H]- 257.10716 157.7
[M]+ 236.13194 149.1
[M]- 236.13304 149.1
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.