CID 5271235

105639-15-4

Structural Information

Molecular Formula
C19H22F2N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C(F)F
InChI
InChI=1S/C19H22F2N2O3/c1-13-11-15(26-23-13)5-3-2-4-9-24-17-7-6-14(12-16(17)18(20)21)19-22-8-10-25-19/h6-7,11-12,18H,2-5,8-10H2,1H3
InChIKey
WDVJEECUFWYPEB-UHFFFAOYSA-N
Compound name
5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

364.15985 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16713 184.6
[M+Na]+ 387.14907 191.5
[M-H]- 363.15257 190.4
[M+NH4]+ 382.19367 195.0
[M+K]+ 403.12301 189.4
[M+H-H2O]+ 347.15711 174.1
[M+HCOO]- 409.15805 201.7
[M+CH3COO]- 423.17370 214.2
[M+Na-2H]- 385.13452 182.5
[M]+ 364.15930 187.9
[M]- 364.16040 187.9
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