CID 53109

Brn 4581599

Structural Information

Molecular Formula
C25H19ClN2O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H19ClN2O3/c1-16-13-24(21-14-19(30-2)11-12-23(21)28-16)31-25(29)20-5-3-4-6-22(20)27-15-17-7-9-18(26)10-8-17/h3-15H,1-2H3
InChIKey
UOYVZTBBHODPFA-UHFFFAOYSA-N
Compound name
(6-methoxy-2-methylquinolin-4-yl) 2-[(4-chlorophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.10843 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11571 204.4
[M+Na]+ 453.09765 213.4
[M-H]- 429.10115 214.8
[M+NH4]+ 448.14225 214.6
[M+K]+ 469.07159 206.7
[M+H-H2O]+ 413.10569 192.9
[M+HCOO]- 475.10663 222.1
[M+CH3COO]- 489.12228 214.2
[M+Na-2H]- 451.08310 207.6
[M]+ 430.10788 211.0
[M]- 430.10898 211.0
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.