CID 135964598

Chembl559047

Structural Information

Molecular Formula
C15H13N5O2
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=NC=CN4
InChI
InChI=1S/C15H13N5O2/c1-9-4-12(20-18-7-15-16-2-3-17-15)10-5-13-14(22-8-21-13)6-11(10)19-9/h2-7H,8H2,1H3,(H,16,17)(H,19,20)/b18-7+
InChIKey
LNEASRRQGJJIJR-CNHKJKLMSA-N
Compound name
N-[(E)-1H-imidazol-2-ylmethylideneamino]-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

295.10693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11421 163.5
[M+Na]+ 318.09615 173.7
[M-H]- 294.09965 170.6
[M+NH4]+ 313.14075 177.2
[M+K]+ 334.07009 170.5
[M+H-H2O]+ 278.10419 154.8
[M+HCOO]- 340.10513 185.4
[M+CH3COO]- 354.12078 175.7
[M+Na-2H]- 316.08160 170.8
[M]+ 295.10638 166.9
[M]- 295.10748 166.9
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.