CID 45271871

Chembl550728

Structural Information

Molecular Formula
C23H19N3O3
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=C(C=CC5=CC=CC=C54)OC
InChI
InChI=1S/C23H19N3O3/c1-14-9-20(17-10-22-23(29-13-28-22)11-19(17)25-14)26-24-12-18-16-6-4-3-5-15(16)7-8-21(18)27-2/h3-12H,13H2,1-2H3,(H,25,26)/b24-12+
InChIKey
VIKLSNUKSHSQFW-WYMPLXKRSA-N
Compound name
N-[(E)-(2-methoxynaphthalen-1-yl)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

385.14264 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 190.8
[M+Na]+ 408.13186 200.7
[M-H]- 384.13536 202.0
[M+NH4]+ 403.17646 203.2
[M+K]+ 424.10580 197.1
[M+H-H2O]+ 368.13990 180.6
[M+HCOO]- 430.14084 212.6
[M+CH3COO]- 444.15649 202.1
[M+Na-2H]- 406.11731 198.5
[M]+ 385.14209 197.1
[M]- 385.14319 197.1
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.