CID 9555458

Nsc332389

Structural Information

Molecular Formula
C19H15N3O4
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-8H,9-10H2,1H3,(H,21,22)/b20-8+
InChIKey
BQEYNIRSTCBFEH-DNTJNYDQSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-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

349.10626 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11354 177.4
[M+Na]+ 372.09548 186.5
[M-H]- 348.09898 189.7
[M+NH4]+ 367.14008 190.3
[M+K]+ 388.06942 186.4
[M+H-H2O]+ 332.10352 170.7
[M+HCOO]- 394.10446 197.0
[M+CH3COO]- 408.12011 189.5
[M+Na-2H]- 370.08093 183.8
[M]+ 349.10571 183.1
[M]- 349.10681 183.1
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