CID 1373007

304896-27-3

Structural Information

Molecular Formula
C23H14ClN3O2
SMILES
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/C#N
InChI
InChI=1S/C23H14ClN3O2/c24-17-8-6-15(7-9-17)22-11-10-18(29-22)13-16(14-25)23(28)27-21-5-1-4-20-19(21)3-2-12-26-20/h1-13H,(H,27,28)/b16-13+
InChIKey
RINIKNCKOKAPGE-DTQAZKPQSA-N
Compound name
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-quinolin-5-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.07745 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.08473 204.5
[M+Na]+ 422.06667 215.9
[M-H]- 398.07017 211.3
[M+NH4]+ 417.11127 213.8
[M+K]+ 438.04061 205.6
[M+H-H2O]+ 382.07471 188.1
[M+HCOO]- 444.07565 217.9
[M+CH3COO]- 458.09130 212.3
[M+Na-2H]- 420.05212 205.4
[M]+ 399.07690 202.6
[M]- 399.07800 202.6
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.