CID 505851

3,8-dioctylindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C31H40N2O2
SMILES
CCCCCCCCC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC(=C4)CCCCCCCC)C2=O
InChI
InChI=1S/C31H40N2O2/c1-3-5-7-9-11-13-15-23-18-20-28-26(21-23)29(34)30-32-27-22-24(16-14-12-10-8-6-4-2)17-19-25(27)31(35)33(28)30/h17-22H,3-16H2,1-2H3
InChIKey
KDSZVQDFXUILDC-UHFFFAOYSA-N
Compound name
3,8-dioctylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.309 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.31628 227.4
[M+Na]+ 495.29822 234.2
[M-H]- 471.30172 229.5
[M+NH4]+ 490.34282 238.0
[M+K]+ 511.27216 224.9
[M+H-H2O]+ 455.30626 216.3
[M+HCOO]- 517.30720 241.9
[M+CH3COO]- 531.32285 243.9
[M+Na-2H]- 493.28367 225.0
[M]+ 472.30845 235.7
[M]- 472.30955 235.7
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.