CID 45267598

Chembl560674

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4CCCCC4
InChI
InChI=1S/C18H21N3O2/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/h7-10,13H,2-6,11H2,1H3,(H,20,21)/b19-10+
InChIKey
VZHVLOROBBTZKY-VXLYETTFSA-N
Compound name
N-[(E)-cyclohexylmethylideneamino]-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

311.1634 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 171.3
[M+Na]+ 334.15262 176.7
[M-H]- 310.15612 179.9
[M+NH4]+ 329.19722 185.5
[M+K]+ 350.12656 174.3
[M+H-H2O]+ 294.16066 162.2
[M+HCOO]- 356.16160 189.7
[M+CH3COO]- 370.17725 181.9
[M+Na-2H]- 332.13807 176.8
[M]+ 311.16285 169.7
[M]- 311.16395 169.7
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.