CID 13285419

Chembl564598

Structural Information

Molecular Formula
C18H15N3O2
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C18H15N3O2/c1-12-7-16(21-19-10-13-5-3-2-4-6-13)14-8-17-18(23-11-22-17)9-15(14)20-12/h2-10H,11H2,1H3,(H,20,21)/b19-10+
InChIKey
GDYLVFGEYKOHNV-VXLYETTFSA-N
Compound name
N-[(E)-benzylideneamino]-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

305.11642 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 168.9
[M+Na]+ 328.10564 177.5
[M-H]- 304.10914 178.8
[M+NH4]+ 323.15024 183.6
[M+K]+ 344.07958 174.6
[M+H-H2O]+ 288.11368 159.9
[M+HCOO]- 350.11462 191.6
[M+CH3COO]- 364.13027 181.1
[M+Na-2H]- 326.09109 177.3
[M]+ 305.11587 171.6
[M]- 305.11697 171.6
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.