CID 12213906

3,4,5-trimethoxybenzaldehyde [6-chloro-8-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C20H17ClF3N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC2=C3C=C(C=C(C3=NC=C2)C(F)(F)F)Cl
InChI
InChI=1S/C20H17ClF3N3O3/c1-28-16-6-11(7-17(29-2)19(16)30-3)10-26-27-15-4-5-25-18-13(15)8-12(21)9-14(18)20(22,23)24/h4-10H,1-3H3,(H,25,27)/b26-10+
InChIKey
LRVOBSGKTXSBDW-NSKAYECMSA-N
Compound name
6-chloro-8-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.09106 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09834 201.4
[M+Na]+ 462.08028 212.1
[M-H]- 438.08378 205.6
[M+NH4]+ 457.12488 212.1
[M+K]+ 478.05422 206.0
[M+H-H2O]+ 422.08832 189.4
[M+HCOO]- 484.08926 216.8
[M+CH3COO]- 498.10491 235.9
[M+Na-2H]- 460.06573 205.0
[M]+ 439.09051 206.6
[M]- 439.09161 206.6
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.