CID 45267595

Chembl560476

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1CCC(CC1)/C=N/NC2=C3C=C4C(=CC3=NC=C2)OCO4
InChI
InChI=1S/C17H19N3O2/c1-2-4-12(5-3-1)10-19-20-14-6-7-18-15-9-17-16(8-13(14)15)21-11-22-17/h6-10,12H,1-5,11H2,(H,18,20)/b19-10+
InChIKey
YLWRFMUFFYWKQC-VXLYETTFSA-N
Compound name
N-[(E)-cyclohexylmethylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 165.1
[M+Na]+ 320.13696 170.1
[M-H]- 296.14046 173.5
[M+NH4]+ 315.18156 179.6
[M+K]+ 336.11090 167.9
[M+H-H2O]+ 280.14500 156.0
[M+HCOO]- 342.14594 183.9
[M+CH3COO]- 356.16159 175.9
[M+Na-2H]- 318.12241 172.0
[M]+ 297.14719 162.8
[M]- 297.14829 162.8
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.