CID 478657

Schembl9100562

Structural Information

Molecular Formula
C18H12N2O4
SMILES
CCOC(=O)C1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4C3=O)C2=O
InChI
InChI=1S/C18H12N2O4/c1-2-24-18(23)10-7-8-14-12(9-10)15(21)16-19-13-6-4-3-5-11(13)17(22)20(14)16/h3-9H,2H2,1H3
InChIKey
WUYCDRGAKUSXRB-UHFFFAOYSA-N
Compound name
ethyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

320.0797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08698 171.6
[M+Na]+ 343.06892 183.4
[M-H]- 319.07242 176.4
[M+NH4]+ 338.11352 188.3
[M+K]+ 359.04286 178.2
[M+H-H2O]+ 303.07696 163.3
[M+HCOO]- 365.07790 190.6
[M+CH3COO]- 379.09355 183.6
[M+Na-2H]- 341.05437 176.6
[M]+ 320.07915 177.3
[M]- 320.08025 177.3
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.