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]+ 341.16823 181.7
[M+Na]+ 363.15017 191.5
[M-H]- 339.15367 187.1
[M+NH4]+ 358.19477 196.6
[M+K]+ 379.12411 184.9
[M+H-H2O]+ 323.15821 172.9
[M+HCOO]- 385.15915 198.8
[M+CH3COO]- 399.17480 192.7
[M+Na-2H]- 361.13562 182.7
[M]+ 340.16040 189.8
[M]- 340.16150 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