CID 505837

Indolo[2,1-b]quinazoline-6,12-dione, 4-methoxy-8-octyl-

Structural Information

Molecular Formula
C24H26N2O3
SMILES
CCCCCCCCC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=C4OC)C2=O
InChI
InChI=1S/C24H26N2O3/c1-3-4-5-6-7-8-10-16-13-14-19-18(15-16)22(27)23-25-21-17(24(28)26(19)23)11-9-12-20(21)29-2/h9,11-15H,3-8,10H2,1-2H3
InChIKey
CNOHLRWBUUCENW-UHFFFAOYSA-N
Compound name
4-methoxy-8-octylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.19434 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 198.4
[M+Na]+ 413.18356 208.3
[M-H]- 389.18706 202.1
[M+NH4]+ 408.22816 212.5
[M+K]+ 429.15750 201.3
[M+H-H2O]+ 373.19160 188.7
[M+HCOO]- 435.19254 215.7
[M+CH3COO]- 449.20819 225.9
[M+Na-2H]- 411.16901 200.1
[M]+ 390.19379 206.1
[M]- 390.19489 206.1
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.