CID 505804

169038-53-3

Structural Information

Molecular Formula
C19H14N2O5
SMILES
CCOC(=O)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=C4OC)C2=O
InChI
InChI=1S/C19H14N2O5/c1-3-26-19(24)10-7-8-13-12(9-10)16(22)17-20-15-11(18(23)21(13)17)5-4-6-14(15)25-2/h4-9H,3H2,1-2H3
InChIKey
VWWZWPCRIMWBSR-UHFFFAOYSA-N
Compound name
ethyl 4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.09027 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09755 179.2
[M+Na]+ 373.07949 190.9
[M-H]- 349.08299 184.1
[M+NH4]+ 368.12409 194.7
[M+K]+ 389.05343 186.5
[M+H-H2O]+ 333.08753 170.7
[M+HCOO]- 395.08847 197.8
[M+CH3COO]- 409.10412 215.4
[M+Na-2H]- 371.06494 183.1
[M]+ 350.08972 187.0
[M]- 350.09082 187.0
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.