CID 515999

Chembl96338

Structural Information

Molecular Formula
C21H21F2NO2
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C21H21F2NO2/c1-13-9-17(16-6-7-19(22)20(23)12-16)10-14(2)21(13)25-8-4-5-18-11-15(3)24-26-18/h6-7,9-12H,4-5,8H2,1-3H3
InChIKey
FJUUQRSBWNVEJD-UHFFFAOYSA-N
Compound name
5-[3-[4-(3,4-difluorophenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.15402 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16130 185.1
[M+Na]+ 380.14324 195.5
[M-H]- 356.14674 192.6
[M+NH4]+ 375.18784 197.7
[M+K]+ 396.11718 190.6
[M+H-H2O]+ 340.15128 174.4
[M+HCOO]- 402.15222 205.1
[M+CH3COO]- 416.16787 217.6
[M+Na-2H]- 378.12869 184.0
[M]+ 357.15347 189.0
[M]- 357.15457 189.0
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

No patent data available for this compound.