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 177.6
[M+Na]+ 372.10042 185.5
[M-H]- 348.10392 179.6
[M+NH4]+ 367.14502 194.0
[M+K]+ 388.07436 179.1
[M+H-H2O]+ 332.10846 167.7
[M+HCOO]- 394.10940 188.7
[M+CH3COO]- 408.12505 218.3
[M+Na-2H]- 370.08587 180.0
[M]+ 349.11065 176.6
[M]- 349.11175 176.6
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.