CID 505774

9-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C19H16N4O2
SMILES
C1CN(CCN1)C2=CC3=C(C=C2)C(=O)C4=NC5=CC=CC=C5C(=O)N34
InChI
InChI=1S/C19H16N4O2/c24-17-14-6-5-12(22-9-7-20-8-10-22)11-16(14)23-18(17)21-15-4-2-1-3-13(15)19(23)25/h1-6,11,20H,7-10H2
InChIKey
XUCROCFXIJUTBA-UHFFFAOYSA-N
Compound name
9-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

332.12732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 179.3
[M+Na]+ 355.11654 188.7
[M-H]- 331.12004 182.0
[M+NH4]+ 350.16114 191.2
[M+K]+ 371.09048 180.5
[M+H-H2O]+ 315.12458 168.0
[M+HCOO]- 377.12552 191.0
[M+CH3COO]- 391.14117 188.0
[M+Na-2H]- 353.10199 182.7
[M]+ 332.12677 176.1
[M]- 332.12787 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe