CID 135346328

N,2-dimethoxy-n-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide

Structural Information

Molecular Formula
C15H16F3N3O4
SMILES
CC(C(=O)N(CC1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F)OC)OC
InChI
InChI=1S/C15H16F3N3O4/c1-9(23-2)13(22)21(24-3)8-10-4-6-11(7-5-10)12-19-14(25-20-12)15(16,17)18/h4-7,9H,8H2,1-3H3
InChIKey
HYVFIHQCIXPMAL-UHFFFAOYSA-N
Compound name
N,2-dimethoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

976
Patents

359.10928 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11656 180.7
[M+Na]+ 382.09850 187.4
[M+NH4]+ 377.14310 182.9
[M+K]+ 398.07244 186.8
[M-H]- 358.10200 177.9
[M+Na-2H]- 380.08395 182.8
[M]+ 359.10873 180.3
[M]- 359.10983 180.3
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