CID 9555463

Nsc332394

Structural Information

Molecular Formula
C21H16N4O2
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC=NC5=CC=CC=C45
InChI
InChI=1S/C21H16N4O2/c1-13-8-19(16-9-20-21(27-12-26-20)10-18(16)24-13)25-23-11-14-6-7-22-17-5-3-2-4-15(14)17/h2-11H,12H2,1H3,(H,24,25)/b23-11+
InChIKey
CTQCNYFFHNAUQF-FOKLQQMPSA-N
Compound name
6-methyl-N-[(E)-quinolin-4-ylmethylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.12732 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13460 181.9
[M+Na]+ 379.11654 192.1
[M-H]- 355.12004 191.7
[M+NH4]+ 374.16114 194.0
[M+K]+ 395.09048 187.8
[M+H-H2O]+ 339.12458 171.1
[M+HCOO]- 401.12552 203.0
[M+CH3COO]- 415.14117 193.2
[M+Na-2H]- 377.10199 191.1
[M]+ 356.12677 186.4
[M]- 356.12787 186.4
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.