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]+ 351.097546 179.2
[M+Na]+ 373.079488 190.9
[M-H]- 349.082994 184.1
[M+NH4]+ 368.124093 194.7
[M+K]+ 389.053428 186.5
[M+H-H2O]+ 333.087530 170.7
[M+HCOO]- 395.088471 197.8
[M+CH3COO]- 409.104121 215.4
[M+Na-2H]- 371.064936 183.1
[M]+ 350.08972142 187.0
[M]- 350.09081858 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.