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]+ 350.118476 177.6
[M+Na]+ 372.100418 185.5
[M-H]- 348.103924 179.6
[M+NH4]+ 367.145023 194.0
[M+K]+ 388.074358 179.1
[M+H-H2O]+ 332.108460 167.7
[M+HCOO]- 394.109401 188.7
[M+CH3COO]- 408.125051 218.3
[M+Na-2H]- 370.085866 180.0
[M]+ 349.11065142 176.6
[M]- 349.11174858 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.