CID 505793

Schembl4593015

Structural Information

Molecular Formula
C16H9ClN2O2
SMILES
CC1=CC(=CC2=C1N3C(=NC4=CC=CC=C4C3=O)C2=O)Cl
InChI
InChI=1S/C16H9ClN2O2/c1-8-6-9(17)7-11-13(8)19-15(14(11)20)18-12-5-3-2-4-10(12)16(19)21/h2-7H,1H3
InChIKey
BOEIXSREDWDMEP-UHFFFAOYSA-N
Compound name
8-chloro-10-methylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

296.03525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04253 165.1
[M+Na]+ 319.02447 180.0
[M-H]- 295.02797 170.2
[M+NH4]+ 314.06907 184.3
[M+K]+ 334.99841 172.5
[M+H-H2O]+ 279.03251 157.8
[M+HCOO]- 341.03345 180.6
[M+CH3COO]- 355.04910 178.3
[M+Na-2H]- 317.00992 170.6
[M]+ 296.03470 171.3
[M]- 296.03580 171.3
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