CID 515427

Chembl25070

Structural Information

Molecular Formula
C19H19Cl2NO3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=COC=C3)Cl
InChI
InChI=1S/C19H19Cl2NO3/c1-13-9-16(25-22-13)5-3-2-4-7-24-19-17(20)10-15(11-18(19)21)14-6-8-23-12-14/h6,8-12H,2-5,7H2,1H3
InChIKey
UTULGCACQDPZLJ-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dichloro-4-(furan-3-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

379.0742 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08148 190.2
[M+Na]+ 402.06342 201.2
[M-H]- 378.06692 199.8
[M+NH4]+ 397.10802 203.3
[M+K]+ 418.03736 196.4
[M+H-H2O]+ 362.07146 182.8
[M+HCOO]- 424.07240 204.2
[M+CH3COO]- 438.08805 201.9
[M+Na-2H]- 400.04887 189.9
[M]+ 379.07365 201.8
[M]- 379.07475 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe