CID 3007246

Schembl5184529

Structural Information

Molecular Formula
C18H13Cl2FN2O3
SMILES
COC1=C(C(=CC=C1)F)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C18H13Cl2FN2O3/c1-25-14-7-3-6-12(21)16(14)13-9-15(26-23-13)10-4-2-5-11(8-10)22-18(24)17(19)20/h2-9,17H,1H3,(H,22,24)
InChIKey
SLISGBLEAUSYHL-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

394.02872 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03600 187.6
[M+Na]+ 417.01794 197.1
[M-H]- 393.02144 195.4
[M+NH4]+ 412.06254 198.9
[M+K]+ 432.99188 191.6
[M+H-H2O]+ 377.02598 178.6
[M+HCOO]- 439.02692 199.4
[M+CH3COO]- 453.04257 218.8
[M+Na-2H]- 415.00339 187.3
[M]+ 394.02817 193.3
[M]- 394.02927 193.3
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