CID 53110

Brn 4588550

Structural Information

Molecular Formula
C27H23N3O3
SMILES
CC1=CC2=NC(=CC(=C2C=C1)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)NC(=O)C)C
InChI
InChI=1S/C27H23N3O3/c1-17-8-13-22-25(14-17)29-18(2)15-26(22)33-27(32)23-6-4-5-7-24(23)28-16-20-9-11-21(12-10-20)30-19(3)31/h4-16H,1-3H3,(H,30,31)
InChIKey
FXSJQIIUUIXMCV-UHFFFAOYSA-N
Compound name
(2,7-dimethylquinolin-4-yl) 2-[(4-acetamidophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.17395 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.18123 208.9
[M+Na]+ 460.16317 215.2
[M-H]- 436.16667 219.3
[M+NH4]+ 455.20777 217.3
[M+K]+ 476.13711 209.6
[M+H-H2O]+ 420.17121 196.6
[M+HCOO]- 482.17215 230.6
[M+CH3COO]- 496.18780 239.2
[M+Na-2H]- 458.14862 211.2
[M]+ 437.17340 211.7
[M]- 437.17450 211.7
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.