CID 45272711

Chembl557250

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)N/N=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H17N3O3/c1-12-8-15(14-4-3-5-17(23-2)19(14)21-12)22-20-10-13-6-7-16-18(9-13)25-11-24-16/h3-10H,11H2,1-2H3,(H,21,22)/b20-10+
InChIKey
BXFGGPBVLSUNSC-KEBDBYFISA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-methoxy-2-methylquinolin-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 177.5
[M+Na]+ 358.11620 186.3
[M-H]- 334.11970 187.7
[M+NH4]+ 353.16080 191.2
[M+K]+ 374.09014 184.0
[M+H-H2O]+ 318.12424 168.3
[M+HCOO]- 380.12518 200.0
[M+CH3COO]- 394.14083 189.4
[M+Na-2H]- 356.10165 184.8
[M]+ 335.12643 182.4
[M]- 335.12753 182.4
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.