CID 9574200

4-methyl-6-methoxy-2-[[(4-fluorophenyl)formimidoyl]amino]quinoline

Structural Information

Molecular Formula
C18H16FN3O
SMILES
CC1=CC(=NC2=C1C=C(C=C2)OC)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C18H16FN3O/c1-12-9-18(21-17-8-7-15(23-2)10-16(12)17)22-20-11-13-3-5-14(19)6-4-13/h3-11H,1-2H3,(H,21,22)/b20-11+
InChIKey
VAHHOCPKWTWORS-RGVLZGJSSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-6-methoxy-4-methylquinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.12775 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13503 171.3
[M+Na]+ 332.11697 180.3
[M-H]- 308.12047 177.9
[M+NH4]+ 327.16157 186.0
[M+K]+ 348.09091 174.8
[M+H-H2O]+ 292.12501 160.5
[M+HCOO]- 354.12595 195.5
[M+CH3COO]- 368.14160 214.5
[M+Na-2H]- 330.10242 178.2
[M]+ 309.12720 172.5
[M]- 309.12830 172.5
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.