CID 3011804

1-pentanone, 5-[4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy]-1-(5-methyl-2-thienyl)-

Structural Information

Molecular Formula
C20H23NO3S
SMILES
CC1COC(=N1)C2=CC=C(C=C2)OCCCCC(=O)C3=CC=C(S3)C
InChI
InChI=1S/C20H23NO3S/c1-14-13-24-20(21-14)16-7-9-17(10-8-16)23-12-4-3-5-18(22)19-11-6-15(2)25-19/h6-11,14H,3-5,12-13H2,1-2H3
InChIKey
NNXORJFGYVDZDR-UHFFFAOYSA-N
Compound name
5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(5-methylthiophen-2-yl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.13986 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14714 186.6
[M+Na]+ 380.12908 194.1
[M-H]- 356.13258 196.4
[M+NH4]+ 375.17368 201.1
[M+K]+ 396.10302 191.0
[M+H-H2O]+ 340.13712 179.5
[M+HCOO]- 402.13806 203.6
[M+CH3COO]- 416.15371 211.8
[M+Na-2H]- 378.11453 182.4
[M]+ 357.13931 193.2
[M]- 357.14041 193.2
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

No patent data available for this compound.