CID 9574196

2me7cf34quinoline-nhn=ch deriv.

Structural Information

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

419.1457 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15298 200.5
[M+Na]+ 442.13492 210.0
[M-H]- 418.13842 204.7
[M+NH4]+ 437.17952 211.0
[M+K]+ 458.10886 205.1
[M+H-H2O]+ 402.14296 187.6
[M+HCOO]- 464.14390 219.9
[M+CH3COO]- 478.15955 235.4
[M+Na-2H]- 440.12037 203.9
[M]+ 419.14515 203.4
[M]- 419.14625 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.