CID 12213859

2,4,6-trimethoxybenzaldehyde [2-methyl-7-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C21H20F3N3O3
SMILES
CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N/N=C/C3=C(C=C(C=C3OC)OC)OC
InChI
InChI=1S/C21H20F3N3O3/c1-12-7-18(15-6-5-13(21(22,23)24)8-17(15)26-12)27-25-11-16-19(29-3)9-14(28-2)10-20(16)30-4/h5-11H,1-4H3,(H,26,27)/b25-11+
InChIKey
BQIBYQKMONGCBU-OPEKNORGSA-N
Compound name
2-methyl-7-(trifluoromethyl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.1457 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.152976 200.5
[M+Na]+ 442.134918 210.0
[M-H]- 418.138424 204.7
[M+NH4]+ 437.179523 211.0
[M+K]+ 458.108858 205.1
[M+H-H2O]+ 402.142960 187.6
[M+HCOO]- 464.143901 219.9
[M+CH3COO]- 478.159551 235.4
[M+Na-2H]- 440.120366 203.9
[M]+ 419.14515142 203.4
[M]- 419.14624858 203.4
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.