CID 5272772

2-(6-dibenzofuran-3-yloxyhexyl)-4-methyl-thiazole

Structural Information

Molecular Formula
C22H23NO2S
SMILES
CC1=CSC(=N1)CCCCCCOC2=CC3=C(C=C2)C4=CC=CC=C4O3
InChI
InChI=1S/C22H23NO2S/c1-16-15-26-22(23-16)10-4-2-3-7-13-24-17-11-12-19-18-8-5-6-9-20(18)25-21(19)14-17/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3
InChIKey
WYYQBSLIEXBRHQ-UHFFFAOYSA-N
Compound name
2-(6-dibenzofuran-3-yloxyhexyl)-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.14496 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15224 187.8
[M+Na]+ 388.13418 199.3
[M-H]- 364.13768 197.1
[M+NH4]+ 383.17878 204.8
[M+K]+ 404.10812 194.2
[M+H-H2O]+ 348.14222 181.3
[M+HCOO]- 410.14316 207.3
[M+CH3COO]- 424.15881 200.2
[M+Na-2H]- 386.11963 189.4
[M]+ 365.14441 199.4
[M]- 365.14551 199.4
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.