CID 5272775

Schembl9804044

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CC1=NC2=CC=CC=C2C(=C1)OCCCCCCC3=C(C=NS3)C
InChI
InChI=1S/C20H24N2OS/c1-15-14-21-24-20(15)11-5-3-4-8-12-23-19-13-16(2)22-18-10-7-6-9-17(18)19/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3
InChIKey
QMAZEINRSFCOKS-UHFFFAOYSA-N
Compound name
4-methyl-5-[6-(2-methylquinolin-4-yl)oxyhexyl]-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.16095 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.168226 181.7
[M+Na]+ 363.150168 191.5
[M-H]- 339.153674 187.1
[M+NH4]+ 358.194773 196.6
[M+K]+ 379.124108 184.9
[M+H-H2O]+ 323.158210 172.9
[M+HCOO]- 385.159151 198.8
[M+CH3COO]- 399.174801 192.7
[M+Na-2H]- 361.135616 182.7
[M]+ 340.16040142 189.8
[M]- 340.16149858 189.8
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