CID 3058234

74767-09-2

Structural Information

Molecular Formula
C25H20N2O3
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)O
InChI
InChI=1S/C25H20N2O3/c1-16-7-12-23-21(13-16)24(14-17(2)27-23)30-25(29)20-5-3-4-6-22(20)26-15-18-8-10-19(28)11-9-18/h3-15,28H,1-2H3
InChIKey
NVXZNWACUJEJNX-UHFFFAOYSA-N
Compound name
(2,6-dimethylquinolin-4-yl) 2-[(4-hydroxyphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1474 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15468 197.6
[M+Na]+ 419.13662 205.4
[M-H]- 395.14012 207.1
[M+NH4]+ 414.18122 207.6
[M+K]+ 435.11056 199.2
[M+H-H2O]+ 379.14466 186.0
[M+HCOO]- 441.14560 218.4
[M+CH3COO]- 455.16125 207.2
[M+Na-2H]- 417.12207 201.0
[M]+ 396.14685 199.9
[M]- 396.14795 199.9
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.