CID 6858019

2063-10-7

Structural Information

Molecular Formula
C19H18F3NS
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2SC3=CC=CC(=C31)C(F)(F)F
InChI
InChI=1S/C19H18F3NS/c1-23(2)12-6-8-14-13-7-3-4-10-16(13)24-17-11-5-9-15(18(14)17)19(20,21)22/h3-5,7-11H,6,12H2,1-2H3/b14-8-
InChIKey
OQKMUQGKFQLFJB-ZSOIEALJSA-N
Compound name
(3Z)-N,N-dimethyl-3-[1-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1112 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11848 177.4
[M+Na]+ 372.10042 187.5
[M+NH4]+ 367.14502 184.8
[M+K]+ 388.07436 178.0
[M-H]- 348.10392 177.5
[M+Na-2H]- 370.08587 181.6
[M]+ 349.11065 179.3
[M]- 349.11175 179.3
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.