CID 13285422

Chembl558064

Structural Information

Molecular Formula
C20H19N3O4
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C20H19N3O4/c1-12-6-16(14-8-19-20(27-11-26-19)9-15(14)22-12)23-21-10-13-4-5-17(24-2)18(7-13)25-3/h4-10H,11H2,1-3H3,(H,22,23)/b21-10+
InChIKey
UKSMGPKZQLHGAX-UFFVCSGVSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.13754 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 186.0
[M+Na]+ 388.12676 194.8
[M-H]- 364.13026 196.3
[M+NH4]+ 383.17136 198.5
[M+K]+ 404.10070 193.1
[M+H-H2O]+ 348.13480 176.6
[M+HCOO]- 410.13574 208.2
[M+CH3COO]- 424.15139 197.5
[M+Na-2H]- 386.11221 192.1
[M]+ 365.13699 192.9
[M]- 365.13809 192.9
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.