CID 505824

Schembl5620807

Structural Information

Molecular Formula
C20H16ClN3O2
SMILES
C1CCN(CC1)C2=CC3=C(C=C2)C(=O)N4C5=C(C=C(C=C5)Cl)C(=O)C4=N3
InChI
InChI=1S/C20H16ClN3O2/c21-12-4-7-17-15(10-12)18(25)19-22-16-11-13(23-8-2-1-3-9-23)5-6-14(16)20(26)24(17)19/h4-7,10-11H,1-3,8-9H2
InChIKey
CNDYJFSVKNDQAU-UHFFFAOYSA-N
Compound name
8-chloro-3-piperidin-1-ylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

365.0931 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10038 186.5
[M+Na]+ 388.08232 197.5
[M-H]- 364.08582 191.7
[M+NH4]+ 383.12692 200.3
[M+K]+ 404.05626 189.1
[M+H-H2O]+ 348.09036 175.8
[M+HCOO]- 410.09130 196.0
[M+CH3COO]- 424.10695 196.1
[M+Na-2H]- 386.06777 188.5
[M]+ 365.09255 187.4
[M]- 365.09365 187.4
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