CID 45272696

Chembl559247

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CCOC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H17N3O3/c1-2-23-14-4-5-15-16(7-8-20-17(15)10-14)22-21-11-13-3-6-18-19(9-13)25-12-24-18/h3-11H,2,12H2,1H3,(H,20,22)/b21-11+
InChIKey
HZGNIOIGYHLFKZ-SRZZPIQSSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-ethoxyquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.12698 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 176.0
[M+Na]+ 358.11620 183.8
[M-H]- 334.11970 185.7
[M+NH4]+ 353.16080 189.3
[M+K]+ 374.09014 181.5
[M+H-H2O]+ 318.12424 166.6
[M+HCOO]- 380.12518 198.5
[M+CH3COO]- 394.14083 187.6
[M+Na-2H]- 356.10165 184.1
[M]+ 335.12643 180.4
[M]- 335.12753 180.4
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.