CID 505802

Schembl9100978

Structural Information

Molecular Formula
C24H24N2O4
SMILES
CCCCCCC(C)OC(=O)C1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4C3=O)C2=O
InChI
InChI=1S/C24H24N2O4/c1-3-4-5-6-9-15(2)30-24(29)16-12-13-20-18(14-16)21(27)22-25-19-11-8-7-10-17(19)23(28)26(20)22/h7-8,10-15H,3-6,9H2,1-2H3
InChIKey
YAVCGOFMZCLOJE-UHFFFAOYSA-N
Compound name
octan-2-yl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

404.1736 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 199.6
[M+Na]+ 427.16282 207.9
[M-H]- 403.16632 203.1
[M+NH4]+ 422.20742 212.4
[M+K]+ 443.13676 202.2
[M+H-H2O]+ 387.17086 190.2
[M+HCOO]- 449.17180 215.2
[M+CH3COO]- 463.18745 227.2
[M+Na-2H]- 425.14827 200.1
[M]+ 404.17305 206.4
[M]- 404.17415 206.4
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