CID 5743013

Chembl152355

Structural Information

Molecular Formula
C23H15N5O4
SMILES
CC(=O)NC1=CC(=O)C2=C(C1=O)N=C(C=C2)C3=C4C(=CC(=N3)C(=O)N)C5=CC=CC=C5N4
InChI
InChI=1S/C23H15N5O4/c1-10(29)25-16-9-18(30)12-6-7-15(27-20(12)22(16)31)21-19-13(8-17(28-21)23(24)32)11-4-2-3-5-14(11)26-19/h2-9,26H,1H3,(H2,24,32)(H,25,29)
InChIKey
VSOIXJCMZQMXNU-UHFFFAOYSA-N
Compound name
1-(7-acetamido-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

425.1124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.11968 199.1
[M+Na]+ 448.10162 208.7
[M-H]- 424.10512 204.4
[M+NH4]+ 443.14622 207.9
[M+K]+ 464.07556 201.8
[M+H-H2O]+ 408.10966 189.1
[M+HCOO]- 470.11060 215.1
[M+CH3COO]- 484.12625 207.5
[M+Na-2H]- 446.08707 201.9
[M]+ 425.11185 200.2
[M]- 425.11295 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.