CID 3007267

Acetamide, 2,2-dichloro-n-[3-[3-[2-(1-methylethyl)-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

Molecular Formula
C21H17Cl2F3N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(F)(F)F)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C21H17Cl2F3N2O2/c1-11(2)14-7-4-8-15(21(24,25)26)18(14)16-10-17(30-28-16)12-5-3-6-13(9-12)27-20(29)19(22)23/h3-11,19H,1-2H3,(H,27,29)
InChIKey
RXVJUOFVFJXOEN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-propan-2-yl-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

456.06192 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.06920 202.0
[M+Na]+ 479.05114 210.7
[M-H]- 455.05464 207.2
[M+NH4]+ 474.09574 211.0
[M+K]+ 495.02508 204.2
[M+H-H2O]+ 439.05918 191.6
[M+HCOO]- 501.06012 208.2
[M+CH3COO]- 515.07577 231.2
[M+Na-2H]- 477.03659 199.1
[M]+ 456.06137 204.5
[M]- 456.06247 204.5
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