CID 218902

Brn 1157549

Structural Information

Molecular Formula
C16H17F3N2OS
SMILES
C1CSCN1CCCOC2=NC3=CC=CC=C3C(=C2)C(F)(F)F
InChI
InChI=1S/C16H17F3N2OS/c17-16(18,19)13-10-15(20-14-5-2-1-4-12(13)14)22-8-3-6-21-7-9-23-11-21/h1-2,4-5,10H,3,6-9,11H2
InChIKey
MPDBOMFWYIIFCK-UHFFFAOYSA-N
Compound name
3-[3-[4-(trifluoromethyl)quinolin-2-yl]oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10138 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10866 175.7
[M+Na]+ 365.09060 183.8
[M-H]- 341.09410 176.3
[M+NH4]+ 360.13520 189.9
[M+K]+ 381.06454 178.0
[M+H-H2O]+ 325.09864 165.1
[M+HCOO]- 387.09958 185.3
[M+CH3COO]- 401.11523 207.1
[M+Na-2H]- 363.07605 175.9
[M]+ 342.10083 174.3
[M]- 342.10193 174.3
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.