CID 9555456

Nsc332387

Structural Information

Molecular Formula
C18H14FN3O2
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC=C(C=C4)F
InChI
InChI=1S/C18H14FN3O2/c1-11-6-16(22-20-9-12-2-4-13(19)5-3-12)14-7-17-18(24-10-23-17)8-15(14)21-11/h2-9H,10H2,1H3,(H,21,22)/b20-9+
InChIKey
GGVVYGGVVSPJOR-AWQFTUOYSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11428 173.4
[M+Na]+ 346.09622 183.0
[M-H]- 322.09972 182.4
[M+NH4]+ 341.14082 187.6
[M+K]+ 362.07016 179.6
[M+H-H2O]+ 306.10426 163.6
[M+HCOO]- 368.10520 195.1
[M+CH3COO]- 382.12085 185.3
[M+Na-2H]- 344.08167 180.4
[M]+ 323.10645 175.6
[M]- 323.10755 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.