CID 15954636

3-[4-[3-[5-(difluoromethyl)-2-furyl]propoxy]-3,5-dimethyl-phenyl]-5-methyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C19H20F2N2O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC=C(O2)C(F)F)C)C3=NOC(=N3)C
InChI
InChI=1S/C19H20F2N2O3/c1-11-9-14(19-22-13(3)26-23-19)10-12(2)17(11)24-8-4-5-15-6-7-16(25-15)18(20)21/h6-7,9-10,18H,4-5,8H2,1-3H3
InChIKey
VAOLUNYQJCMXGX-UHFFFAOYSA-N
Compound name
3-[4-[3-[5-(difluoromethyl)furan-2-yl]propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

362.1442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15148 183.1
[M+Na]+ 385.13342 194.0
[M-H]- 361.13692 190.6
[M+NH4]+ 380.17802 194.5
[M+K]+ 401.10736 191.4
[M+H-H2O]+ 345.14146 173.3
[M+HCOO]- 407.14240 203.1
[M+CH3COO]- 421.15805 216.1
[M+Na-2H]- 383.11887 181.5
[M]+ 362.14365 190.2
[M]- 362.14475 190.2
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

patents stripe