CID 9574194

2-methyl-6-methoxy-4[[(3,4,5-trimethoxyphenyl)formimidoyl]amino]quinoline

Structural Information

Molecular Formula
C21H23N3O4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)N/N=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H23N3O4/c1-13-8-18(16-11-15(25-2)6-7-17(16)23-13)24-22-12-14-9-19(26-3)21(28-5)20(10-14)27-4/h6-12H,1-5H3,(H,23,24)/b22-12+
InChIKey
PPSRAHMHLFKGKS-WSDLNYQXSA-N
Compound name
6-methoxy-2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.16885 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 191.8
[M+Na]+ 404.15807 200.4
[M-H]- 380.16157 200.0
[M+NH4]+ 399.20267 203.8
[M+K]+ 420.13201 197.2
[M+H-H2O]+ 364.16611 181.0
[M+HCOO]- 426.16705 216.4
[M+CH3COO]- 440.18270 229.9
[M+Na-2H]- 402.14352 196.5
[M]+ 381.16830 200.0
[M]- 381.16940 200.0
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.