CID 3071531

Brn 5455116

Structural Information

Molecular Formula
C24H17N3O2
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C52
InChI
InChI=1S/C24H17N3O2/c1-15-8-2-5-11-19(15)26-23(28)18-14-22-25-20-12-6-3-10-17(20)24(29)27(22)21-13-7-4-9-16(18)21/h2-14H,1H3,(H,26,28)
InChIKey
SVAZSRFETAVBSH-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-12-oxoquinolino[2,1-b]quinazoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.13208 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13936 191.0
[M+Na]+ 402.12130 201.3
[M-H]- 378.12480 198.1
[M+NH4]+ 397.16590 202.3
[M+K]+ 418.09524 193.4
[M+H-H2O]+ 362.12934 179.0
[M+HCOO]- 424.13028 209.7
[M+CH3COO]- 438.14593 200.8
[M+Na-2H]- 400.10675 199.4
[M]+ 379.13153 193.3
[M]- 379.13263 193.3
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

No patent data available for this compound.