CID 45269297

Chembl560793

Structural Information

Molecular Formula
C18H17N3O2
SMILES
COC1=CC=C(C=C1)/C=N/NC2=C3C=CC(=CC3=NC=C2)OC
InChI
InChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-17-9-10-19-18-11-15(23-2)7-8-16(17)18/h3-12H,1-2H3,(H,19,21)/b20-12+
InChIKey
ROSDAGPOHHOIDR-UDWIEESQSA-N
Compound name
7-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.13208 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 170.4
[M+Na]+ 330.12130 178.2
[M-H]- 306.12480 178.0
[M+NH4]+ 325.16590 184.9
[M+K]+ 346.09524 173.9
[M+H-H2O]+ 290.12934 160.3
[M+HCOO]- 352.13028 195.9
[M+CH3COO]- 366.14593 212.8
[M+Na-2H]- 328.10675 178.8
[M]+ 307.13153 173.6
[M]- 307.13263 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.