CID 135964549

Chembl549994

Structural Information

Molecular Formula
C18H15N3O3
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C18H15N3O3/c1-11-6-16(21-19-9-12-2-4-13(22)5-3-12)14-7-17-18(24-10-23-17)8-15(14)20-11/h2-9,22H,10H2,1H3,(H,20,21)/b19-9+
InChIKey
JTIDIKZUWBMIAV-DJKKODMXSA-N
Compound name
4-[(E)-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.11133 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11861 172.5
[M+Na]+ 344.10055 181.4
[M-H]- 320.10405 181.6
[M+NH4]+ 339.14515 186.1
[M+K]+ 360.07449 178.5
[M+H-H2O]+ 304.10859 163.9
[M+HCOO]- 366.10953 193.9
[M+CH3COO]- 380.12518 184.3
[M+Na-2H]- 342.08600 180.1
[M]+ 321.11078 175.4
[M]- 321.11188 175.4
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.