CID 12213896

Nicotinaldehyde [6-chloro-8-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C16H10ClF3N4
SMILES
C1=CC(=CN=C1)/C=N/NC2=C3C=C(C=C(C3=NC=C2)C(F)(F)F)Cl
InChI
InChI=1S/C16H10ClF3N4/c17-11-6-12-14(24-23-9-10-2-1-4-21-8-10)3-5-22-15(12)13(7-11)16(18,19)20/h1-9H,(H,22,24)/b23-9+
InChIKey
JSFAUGDXCUFVAU-NUGSKGIGSA-N
Compound name
6-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-8-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.0546 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06188 176.8
[M+Na]+ 373.04382 187.2
[M-H]- 349.04732 179.1
[M+NH4]+ 368.08842 189.1
[M+K]+ 389.01776 179.1
[M+H-H2O]+ 333.05186 164.5
[M+HCOO]- 395.05280 191.7
[M+CH3COO]- 409.06845 186.7
[M+Na-2H]- 371.02927 184.5
[M]+ 350.05405 175.7
[M]- 350.05515 175.7
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.