CID 15954769

Schembl9436189

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)C)C)C3=CC=CC=N3
InChI
InChI=1S/C22H26N2O2/c1-16-13-19(21-10-6-7-11-23-21)14-17(2)22(16)25-12-8-4-5-9-20-15-18(3)24-26-20/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3
InChIKey
KFQVJTUXHZGTDQ-UHFFFAOYSA-N
Compound name
5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

350.19943 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.7
[M+Na]+ 373.18865 195.7
[M-H]- 349.19215 195.5
[M+NH4]+ 368.23325 198.7
[M+K]+ 389.16259 191.1
[M+H-H2O]+ 333.19669 177.2
[M+HCOO]- 395.19763 208.2
[M+CH3COO]- 409.21328 215.5
[M+Na-2H]- 371.17410 188.5
[M]+ 350.19888 193.5
[M]- 350.19998 193.5
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.