CID 3007254

2,2-dichloro-n-[3-[3-(2-isopropylphenyl)isoxazol-5-yl]phenyl]-n-methyl-acetamide

Structural Information

Molecular Formula
C21H20Cl2N2O2
SMILES
CC(C)C1=CC=CC=C1C2=NOC(=C2)C3=CC(=CC=C3)N(C)C(=O)C(Cl)Cl
InChI
InChI=1S/C21H20Cl2N2O2/c1-13(2)16-9-4-5-10-17(16)18-12-19(27-24-18)14-7-6-8-15(11-14)25(3)21(26)20(22)23/h4-13,20H,1-3H3
InChIKey
YKNIQFGDZQBIKL-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-methyl-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.09018 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09746 195.7
[M+Na]+ 425.07940 203.0
[M-H]- 401.08290 205.5
[M+NH4]+ 420.12400 207.1
[M+K]+ 441.05334 198.4
[M+H-H2O]+ 385.08744 187.1
[M+HCOO]- 447.08838 206.9
[M+CH3COO]- 461.10403 225.7
[M+Na-2H]- 423.06485 193.2
[M]+ 402.08963 202.4
[M]- 402.09073 202.4
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

No patent data available for this compound.