CID 10336575

Schembl9436349

Structural Information

Molecular Formula
C19H21NO2S
SMILES
CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=CC=CS3
InChI
InChI=1S/C19H21NO2S/c1-15-14-18(22-20-15)6-3-2-4-12-21-17-10-8-16(9-11-17)19-7-5-13-23-19/h5,7-11,13-14H,2-4,6,12H2,1H3
InChIKey
FWOQDIMAIOOCHD-UHFFFAOYSA-N
Compound name
3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.1293 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 177.0
[M+Na]+ 350.11852 186.6
[M-H]- 326.12202 187.3
[M+NH4]+ 345.16312 193.1
[M+K]+ 366.09246 182.8
[M+H-H2O]+ 310.12656 169.8
[M+HCOO]- 372.12750 197.9
[M+CH3COO]- 386.14315 189.7
[M+Na-2H]- 348.10397 176.6
[M]+ 327.12875 185.6
[M]- 327.12985 185.6
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