CID 15954695

Schembl10413682

Structural Information

Molecular Formula
C18H19Cl2N3O3
SMILES
CC1=NOC(=C1)CCCCCOC2=CC(=C(C(=C2)Cl)C3=NN=C(O3)C)Cl
InChI
InChI=1S/C18H19Cl2N3O3/c1-11-8-13(26-23-11)6-4-3-5-7-24-14-9-15(19)17(16(20)10-14)18-22-21-12(2)25-18/h8-10H,3-7H2,1-2H3
InChIKey
MWZFKQILTMKXIP-UHFFFAOYSA-N
Compound name
2-[2,6-dichloro-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

395.08035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.08763 192.2
[M+Na]+ 418.06957 204.1
[M-H]- 394.07307 199.5
[M+NH4]+ 413.11417 202.0
[M+K]+ 434.04351 199.5
[M+H-H2O]+ 378.07761 182.8
[M+HCOO]- 440.07855 203.6
[M+CH3COO]- 454.09420 203.0
[M+Na-2H]- 416.05502 191.0
[M]+ 395.07980 204.3
[M]- 395.08090 204.3
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