CID 3007265

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

Structural Information

Molecular Formula
C21H15Cl2F3N2O2
SMILES
C1CC1C2=C(C(=CC=C2)C(F)(F)F)C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl
InChI
InChI=1S/C21H15Cl2F3N2O2/c22-19(23)20(29)27-13-4-1-3-12(9-13)17-10-16(28-30-17)18-14(11-7-8-11)5-2-6-15(18)21(24,25)26/h1-6,9-11,19H,7-8H2,(H,27,29)
InChIKey
VIDONIZYLWZZFZ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-cyclopropyl-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

454.04626 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.05354 187.0
[M+Na]+ 477.03548 196.7
[M-H]- 453.03898 194.8
[M+NH4]+ 472.08008 191.3
[M+K]+ 493.00942 189.5
[M+H-H2O]+ 437.04352 176.5
[M+HCOO]- 499.04446 195.0
[M+CH3COO]- 513.06011 195.6
[M+Na-2H]- 475.02093 186.3
[M]+ 454.04571 190.9
[M]- 454.04681 190.9
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