CID 479333

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

Structural Information

Molecular Formula
C23H24N2O3
SMILES
CCCCCCCCOC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4C3=O)C2=O
InChI
InChI=1S/C23H24N2O3/c1-2-3-4-5-6-9-14-28-16-12-13-20-18(15-16)21(26)22-24-19-11-8-7-10-17(19)23(27)25(20)22/h7-8,10-13,15H,2-6,9,14H2,1H3
InChIKey
SIQNKVFUKSCBQW-UHFFFAOYSA-N
Compound name
8-octoxyindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.17868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 193.2
[M+Na]+ 399.16790 202.7
[M-H]- 375.17140 196.7
[M+NH4]+ 394.21250 207.6
[M+K]+ 415.14184 195.8
[M+H-H2O]+ 359.17594 183.5
[M+HCOO]- 421.17688 210.9
[M+CH3COO]- 435.19253 203.0
[M+Na-2H]- 397.15335 196.2
[M]+ 376.17813 200.2
[M]- 376.17923 200.2
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.