CID 5272769

2-(7-dibenzofuran-3-yloxyheptyl)-4-methyl-thiazole

Structural Information

Molecular Formula
C23H25NO2S
SMILES
CC1=CSC(=N1)CCCCCCCOC2=CC3=C(C=C2)C4=CC=CC=C4O3
InChI
InChI=1S/C23H25NO2S/c1-17-16-27-23(24-17)11-5-3-2-4-8-14-25-18-12-13-20-19-9-6-7-10-21(19)26-22(20)15-18/h6-7,9-10,12-13,15-16H,2-5,8,11,14H2,1H3
InChIKey
VHHDCOMAJDRKKU-UHFFFAOYSA-N
Compound name
2-(7-dibenzofuran-3-yloxyheptyl)-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1606 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16788 192.3
[M+Na]+ 402.14982 203.3
[M-H]- 378.15332 201.4
[M+NH4]+ 397.19442 208.7
[M+K]+ 418.12376 198.1
[M+H-H2O]+ 362.15786 185.6
[M+HCOO]- 424.15880 211.4
[M+CH3COO]- 438.17445 204.2
[M+Na-2H]- 400.13527 193.4
[M]+ 379.16005 204.2
[M]- 379.16115 204.2
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.