CID 9574192

Schembl5593274

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)N/N=C/C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H19N3O2/c1-13-9-19(17-11-16(24-3)7-8-18(17)21-13)22-20-12-14-5-4-6-15(10-14)23-2/h4-12H,1-3H3,(H,21,22)/b20-12+
InChIKey
CAQOCXCXUZQLPE-UDWIEESQSA-N
Compound name
6-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

321.14774 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 175.8
[M+Na]+ 344.13696 184.1
[M-H]- 320.14046 183.6
[M+NH4]+ 339.18156 190.0
[M+K]+ 360.11090 179.6
[M+H-H2O]+ 304.14500 165.6
[M+HCOO]- 366.14594 200.9
[M+CH3COO]- 380.16159 217.0
[M+Na-2H]- 342.12241 182.9
[M]+ 321.14719 179.8
[M]- 321.14829 179.8
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

patents stripe