CID 2487525

5,7-dimethoxy-2-(2-thienyl)-4-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C16H12F3NO2S
SMILES
COC1=CC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=C1)OC
InChI
InChI=1S/C16H12F3NO2S/c1-21-9-6-12-15(13(7-9)22-2)10(16(17,18)19)8-11(20-12)14-4-3-5-23-14/h3-8H,1-2H3
InChIKey
YMQCQXDNOPBCFU-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-thiophen-2-yl-4-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.05408 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06136 173.0
[M+Na]+ 362.04330 185.6
[M-H]- 338.04680 177.1
[M+NH4]+ 357.08790 189.5
[M+K]+ 378.01724 180.0
[M+H-H2O]+ 322.05134 163.6
[M+HCOO]- 384.05228 188.2
[M+CH3COO]- 398.06793 208.0
[M+Na-2H]- 360.02875 174.9
[M]+ 339.05353 177.6
[M]- 339.05463 177.6
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.