CID 3058237

Brn 4598740

Structural Information

Molecular Formula
C27H23N3O4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C27H23N3O4/c1-17-14-26(23-15-21(33-3)12-13-25(23)29-17)34-27(32)22-6-4-5-7-24(22)28-16-19-8-10-20(11-9-19)30-18(2)31/h4-16H,1-3H3,(H,30,31)
InChIKey
NWRQCNCPTHASLQ-UHFFFAOYSA-N
Compound name
(6-methoxy-2-methylquinolin-4-yl) 2-[(4-acetamidophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.16885 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17613 211.6
[M+Na]+ 476.15807 217.6
[M-H]- 452.16157 221.9
[M+NH4]+ 471.20267 219.1
[M+K]+ 492.13201 212.8
[M+H-H2O]+ 436.16611 199.0
[M+HCOO]- 498.16705 233.4
[M+CH3COO]- 512.18270 241.4
[M+Na-2H]- 474.14352 214.0
[M]+ 453.16830 215.6
[M]- 453.16940 215.6
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.