CID 2725993

Ns00016593

Structural Information

Molecular Formula
C19H18F6N2O2S
SMILES
CN(C)N=C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)SC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H18F6N2O2S/c1-27(2)26-17(30-14-5-6-15(28-3)16(10-14)29-4)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h5-10H,1-4H3
InChIKey
SVWSQSSKJARLSX-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl) N-(dimethylamino)-3,5-bis(trifluoromethyl)benzenecarboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

452.0993 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.106576 199.9
[M+Na]+ 475.088518 207.6
[M-H]- 451.092024 201.4
[M+NH4]+ 470.133123 210.2
[M+K]+ 491.062458 203.3
[M+H-H2O]+ 435.096560 185.9
[M+HCOO]- 497.097501 211.1
[M+CH3COO]- 511.113151 239.2
[M+Na-2H]- 473.073966 198.0
[M]+ 452.09875142 199.2
[M]- 452.09984858 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.