CID 53113

Brn 4569690

Structural Information

Molecular Formula
C25H19ClN2O2
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H19ClN2O2/c1-16-7-12-23-21(13-16)24(14-17(2)28-23)30-25(29)20-5-3-4-6-22(20)27-15-18-8-10-19(26)11-9-18/h3-15H,1-2H3
InChIKey
NXZONNFHVJSZOA-UHFFFAOYSA-N
Compound name
(2,6-dimethylquinolin-4-yl) 2-[(4-chlorophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1135 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12078 201.7
[M+Na]+ 437.10272 211.0
[M-H]- 413.10622 212.1
[M+NH4]+ 432.14732 212.6
[M+K]+ 453.07666 203.3
[M+H-H2O]+ 397.11076 190.3
[M+HCOO]- 459.11170 219.2
[M+CH3COO]- 473.12735 211.6
[M+Na-2H]- 435.08817 204.7
[M]+ 414.11295 206.9
[M]- 414.11405 206.9
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.