CID 12213905

3-methylpyridine-2-carbaldehyde [6-chloro-8-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C17H12ClF3N4
SMILES
CC1=NC(=CC=C1)/C=N/NC2=C3C=C(C=C(C3=NC=C2)C(F)(F)F)Cl
InChI
InChI=1S/C17H12ClF3N4/c1-10-3-2-4-12(24-10)9-23-25-15-5-6-22-16-13(15)7-11(18)8-14(16)17(19,20)21/h2-9H,1H3,(H,22,25)/b23-9+
InChIKey
QCQNHLWKYUDRMI-NUGSKGIGSA-N
Compound name
6-chloro-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]-8-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.07025 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07753 182.5
[M+Na]+ 387.05947 193.5
[M-H]- 363.06297 185.0
[M+NH4]+ 382.10407 194.6
[M+K]+ 403.03341 185.2
[M+H-H2O]+ 347.06751 170.2
[M+HCOO]- 409.06845 197.1
[M+CH3COO]- 423.08410 220.8
[M+Na-2H]- 385.04492 188.9
[M]+ 364.06970 182.2
[M]- 364.07080 182.2
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.