CID 483120

4-(4-methoxyphenyl)-n-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

Structural Information

Molecular Formula
C19H14F3NO2S
SMILES
COC1=CC=C(C=C1)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H14F3NO2S/c1-25-16-7-5-12(6-8-16)13-9-17(26-11-13)18(24)23-15-4-2-3-14(10-15)19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKey
CKLGWJJVWXHHSR-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

377.06973 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07701 184.1
[M+Na]+ 400.05895 192.6
[M-H]- 376.06245 190.7
[M+NH4]+ 395.10355 198.1
[M+K]+ 416.03289 186.5
[M+H-H2O]+ 360.06699 173.8
[M+HCOO]- 422.06793 199.9
[M+CH3COO]- 436.08358 215.8
[M+Na-2H]- 398.04440 183.3
[M]+ 377.06918 183.9
[M]- 377.07028 183.9
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

patents stripe