CID 441048

Win 54954

Structural Information

Molecular Formula
C18H20Cl2N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=NCCO3)Cl
InChI
InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
InChIKey
JJDHAOLOHQTGMG-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

105
Patents

382.08508 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09236 190.8
[M+Na]+ 405.07430 200.0
[M-H]- 381.07780 198.4
[M+NH4]+ 400.11890 202.1
[M+K]+ 421.04824 195.8
[M+H-H2O]+ 365.08234 182.3
[M+HCOO]- 427.08328 200.9
[M+CH3COO]- 441.09893 201.1
[M+Na-2H]- 403.05975 188.9
[M]+ 382.08453 199.5
[M]- 382.08563 199.5
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