CID 379481

Brn 5445378

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CNC(=O)C1=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41
InChI
InChI=1S/C18H13N3O2/c1-19-17(22)13-10-16-20-14-8-4-2-7-12(14)18(23)21(16)15-9-5-3-6-11(13)15/h2-10H,1H3,(H,19,22)
InChIKey
OUGDIUVHUGTHEK-UHFFFAOYSA-N
Compound name
N-methyl-12-oxoquinolino[2,1-b]quinazoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 167.8
[M+Na]+ 326.08999 179.0
[M-H]- 302.09349 172.2
[M+NH4]+ 321.13459 182.9
[M+K]+ 342.06393 172.7
[M+H-H2O]+ 286.09803 158.1
[M+HCOO]- 348.09897 187.8
[M+CH3COO]- 362.11462 179.4
[M+Na-2H]- 324.07544 178.0
[M]+ 303.10022 170.8
[M]- 303.10132 170.8
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