CID 5271686

Chembl141866

Structural Information

Molecular Formula
C18H20F2N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2F)C3=NCCO3)F
InChI
InChI=1S/C18H20F2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
InChIKey
CZJCVAHXNFURJZ-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

350.1442 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15148 179.8
[M+Na]+ 373.13342 188.4
[M-H]- 349.13692 186.0
[M+NH4]+ 368.17802 191.2
[M+K]+ 389.10736 185.9
[M+H-H2O]+ 333.14146 169.6
[M+HCOO]- 395.14240 198.2
[M+CH3COO]- 409.15805 211.6
[M+Na-2H]- 371.11887 178.6
[M]+ 350.14365 183.8
[M]- 350.14475 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe