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

1020
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 178.1
[M+Na]+ 382.09850 185.3
[M-H]- 358.10200 180.8
[M+NH4]+ 377.14310 188.7
[M+K]+ 398.07244 185.2
[M+H-H2O]+ 342.10654 166.7
[M+HCOO]- 404.10748 195.2
[M+CH3COO]- 418.12313 217.2
[M+Na-2H]- 380.08395 179.4
[M]+ 359.10873 181.0
[M]- 359.10983 181.0
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