CID 2130404

Agk2

Structural Information

Molecular Formula
C23H13Cl2N3O2
SMILES
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/C#N
InChI
InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
InChIKey
SVENPFFEMUOOGK-SDNWHVSQSA-N
Compound name
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

148
Patents

433.03848 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04576 203.1
[M+Na]+ 456.02770 219.4
[M+NH4]+ 451.07230 207.4
[M+K]+ 472.00164 208.1
[M-H]- 432.03120 202.8
[M+Na-2H]- 454.01315 208.6
[M]+ 433.03793 205.3
[M]- 433.03903 205.3
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