CID 13285425

Chembl564742

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC2=C3C=C4C(=CC3=NC(=C2)C)OCO4
InChI
InChI=1S/C22H24N4O2/c1-4-26(5-2)17-8-6-16(7-9-17)13-23-25-20-10-15(3)24-19-12-22-21(11-18(19)20)27-14-28-22/h6-13H,4-5,14H2,1-3H3,(H,24,25)/b23-13+
InChIKey
PTYBNUQAORTLRW-YDZHTSKRSA-N
Compound name
N-[(E)-[4-(diethylamino)phenyl]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

376.1899 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 193.5
[M+Na]+ 399.17912 200.1
[M-H]- 375.18262 204.3
[M+NH4]+ 394.22372 205.6
[M+K]+ 415.15306 197.9
[M+H-H2O]+ 359.18716 183.2
[M+HCOO]- 421.18810 216.1
[M+CH3COO]- 435.20375 204.0
[M+Na-2H]- 397.16457 198.7
[M]+ 376.18935 198.3
[M]- 376.19045 198.3
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.