CID 218919

41288-19-1

Structural Information

Molecular Formula
C18H21F3N2OS
SMILES
C1CSCN1CCCCCOC2=NC3=CC=CC=C3C(=C2)C(F)(F)F
InChI
InChI=1S/C18H21F3N2OS/c19-18(20,21)15-12-17(22-16-7-3-2-6-14(15)16)24-10-5-1-4-8-23-9-11-25-13-23/h2-3,6-7,12H,1,4-5,8-11,13H2
InChIKey
VGJSKSWIFFQKJA-UHFFFAOYSA-N
Compound name
3-[5-[4-(trifluoromethyl)quinolin-2-yl]oxypentyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.13266 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13994 184.5
[M+Na]+ 393.12188 191.6
[M-H]- 369.12538 184.7
[M+NH4]+ 388.16648 197.5
[M+K]+ 409.09582 185.4
[M+H-H2O]+ 353.12992 173.5
[M+HCOO]- 415.13086 193.4
[M+CH3COO]- 429.14651 213.0
[M+Na-2H]- 391.10733 183.7
[M]+ 370.13211 183.8
[M]- 370.13321 183.8
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

No patent data available for this compound.