CID 9555453

Nsc332384

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC(=CC=C4)OC
InChI
InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-10H,11H2,1-2H3,(H,21,22)/b20-10+
InChIKey
MSEAFZSETBWEAL-KEBDBYFISA-N
Compound name
N-[(E)-(3-methoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

335.12698 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 177.5
[M+Na]+ 358.11620 186.3
[M-H]- 334.11970 187.7
[M+NH4]+ 353.16080 191.2
[M+K]+ 374.09014 184.0
[M+H-H2O]+ 318.12424 168.3
[M+HCOO]- 380.12518 200.0
[M+CH3COO]- 394.14083 189.4
[M+Na-2H]- 356.10165 184.8
[M]+ 335.12643 182.4
[M]- 335.12753 182.4
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

patents stripe