CID 505809

169038-57-7

Structural Information

Molecular Formula
C17H10N2O5
SMILES
COC1=CC=CC2=C1N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)C(=O)O
InChI
InChI=1S/C17H10N2O5/c1-24-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17(22)23)5-6-11(10)19(15)16(9)21/h2-7H,1H3,(H,22,23)
InChIKey
SEKOWWYZUHAEFN-UHFFFAOYSA-N
Compound name
4-methoxy-6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.05896 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06624 169.7
[M+Na]+ 345.04818 181.9
[M-H]- 321.05168 173.7
[M+NH4]+ 340.09278 185.7
[M+K]+ 361.02212 177.1
[M+H-H2O]+ 305.05622 162.1
[M+HCOO]- 367.05716 187.5
[M+CH3COO]- 381.07281 181.6
[M+Na-2H]- 343.03363 174.4
[M]+ 322.05841 175.3
[M]- 322.05951 175.3
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

patents stripe