CID 1183104

304896-25-1

Structural Information

Molecular Formula
C24H14F3N3O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC4=C3C=CC=N4
InChI
InChI=1S/C24H14F3N3O2/c25-24(26,27)17-5-1-4-15(12-17)22-10-9-18(32-22)13-16(14-28)23(31)30-21-8-2-7-20-19(21)6-3-11-29-20/h1-13H,(H,30,31)/b16-13+
InChIKey
UPXWENMZGDNXKC-DTQAZKPQSA-N
Compound name
(E)-2-cyano-N-quinolin-5-yl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

433.10382 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11110 208.3
[M+Na]+ 456.09304 218.5
[M-H]- 432.09654 211.5
[M+NH4]+ 451.13764 215.3
[M+K]+ 472.06698 209.2
[M+H-H2O]+ 416.10108 189.3
[M+HCOO]- 478.10202 221.2
[M+CH3COO]- 492.11767 214.5
[M+Na-2H]- 454.07849 208.5
[M]+ 433.10327 201.1
[M]- 433.10437 201.1
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