CID 3007259

Acetamide, 2,2-dichloro-n-[3-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

Molecular Formula
C19H13Cl2F3N2O3
SMILES
COC1=CC=CC(=C1C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)C(F)(F)F
InChI
InChI=1S/C19H13Cl2F3N2O3/c1-28-14-7-3-6-12(19(22,23)24)16(14)13-9-15(29-26-13)10-4-2-5-11(8-10)25-18(27)17(20)21/h2-9,17H,1H3,(H,25,27)
InChIKey
QISWCLWOPNXXRK-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

444.02554 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.03282 196.2
[M+Na]+ 467.01476 205.8
[M-H]- 443.01826 201.6
[M+NH4]+ 462.05936 205.6
[M+K]+ 482.98870 199.9
[M+H-H2O]+ 427.02280 185.7
[M+HCOO]- 489.02374 204.2
[M+CH3COO]- 503.03939 226.7
[M+Na-2H]- 465.00021 195.5
[M]+ 444.02499 199.8
[M]- 444.02609 199.8
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