CID 3058239

Brn 4576666

Structural Information

Molecular Formula
C24H16Cl2N2O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)Cl)OC(=O)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H16Cl2N2O2/c1-15-12-23(21-13-19(26)8-11-22(21)28-15)30-24(29)17-4-9-20(10-5-17)27-14-16-2-6-18(25)7-3-16/h2-14H,1H3
InChIKey
UEXAWEVKWYPCKQ-UHFFFAOYSA-N
Compound name
(6-chloro-2-methylquinolin-4-yl) 4-[(4-chlorophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.05887 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.06615 202.5
[M+Na]+ 457.04809 212.6
[M-H]- 433.05159 212.1
[M+NH4]+ 452.09269 213.2
[M+K]+ 473.02203 204.4
[M+H-H2O]+ 417.05613 191.9
[M+HCOO]- 479.05707 215.3
[M+CH3COO]- 493.07272 212.1
[M+Na-2H]- 455.03354 205.3
[M]+ 434.05832 209.1
[M]- 434.05942 209.1
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.