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]+ 304.108046 167.8
[M+Na]+ 326.089988 179.0
[M-H]- 302.093494 172.2
[M+NH4]+ 321.134593 182.9
[M+K]+ 342.063928 172.7
[M+H-H2O]+ 286.098030 158.1
[M+HCOO]- 348.098971 187.8
[M+CH3COO]- 362.114621 179.4
[M+Na-2H]- 324.075436 178.0
[M]+ 303.10022142 170.8
[M]- 303.10131858 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