CID 3007298

Schembl5153117

Structural Information

Molecular Formula
C24H18Cl2N2O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl
InChI
InChI=1S/C24H18Cl2N2O3/c25-23(26)24(29)27-18-10-6-9-17(13-18)22-14-20(28-31-22)19-11-4-5-12-21(19)30-15-16-7-2-1-3-8-16/h1-14,23H,15H2,(H,27,29)
InChIKey
PIGHFQRJBMVDEN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-phenylmethoxyphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

452.06946 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.07674 206.6
[M+Na]+ 475.05868 213.6
[M-H]- 451.06218 217.7
[M+NH4]+ 470.10328 214.6
[M+K]+ 491.03262 207.4
[M+H-H2O]+ 435.06672 196.3
[M+HCOO]- 497.06766 218.5
[M+CH3COO]- 511.08331 215.3
[M+Na-2H]- 473.04413 206.5
[M]+ 452.06891 212.5
[M]- 452.07001 212.5
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