CID 3007244

Schembl5181071

Structural Information

Molecular Formula
C20H17Cl3N2O2
SMILES
CC(C)C1=C(C(=CC=C1)Cl)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C20H17Cl3N2O2/c1-11(2)14-7-4-8-15(21)18(14)16-10-17(27-25-16)12-5-3-6-13(9-12)24-20(26)19(22)23/h3-11,19H,1-2H3,(H,24,26)
InChIKey
OAAYFUSKHNQBRC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-6-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

422.03555 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.04283 197.2
[M+Na]+ 445.02477 205.5
[M-H]- 421.02827 204.6
[M+NH4]+ 440.06937 207.6
[M+K]+ 460.99871 199.4
[M+H-H2O]+ 405.03281 189.5
[M+HCOO]- 467.03375 202.8
[M+CH3COO]- 481.04940 206.1
[M+Na-2H]- 443.01022 194.2
[M]+ 422.03500 203.0
[M]- 422.03610 203.0
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