CID 53111

Brn 4597221

Structural Information

Molecular Formula
C26H20ClN3O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)Cl)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C26H20ClN3O3/c1-16-13-25(22-14-19(27)9-12-24(22)29-16)33-26(32)21-5-3-4-6-23(21)28-15-18-7-10-20(11-8-18)30-17(2)31/h3-15H,1-2H3,(H,30,31)
InChIKey
QDBTZOQFULZLSH-UHFFFAOYSA-N
Compound name
(6-chloro-2-methylquinolin-4-yl) 2-[(4-acetamidophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.11932 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12660 211.1
[M+Na]+ 480.10854 218.7
[M-H]- 456.11204 221.4
[M+NH4]+ 475.15314 219.7
[M+K]+ 496.08248 212.0
[M+H-H2O]+ 440.11658 199.6
[M+HCOO]- 502.11752 228.7
[M+CH3COO]- 516.13317 239.6
[M+Na-2H]- 478.09399 213.4
[M]+ 457.11877 216.2
[M]- 457.11987 216.2
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.