CID 1739330

1-naphthyl 2-(4-bromophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H16BrNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br
InChI
InChI=1S/C26H16BrNO2/c27-19-14-12-18(13-15-19)24-16-22(21-9-3-4-10-23(21)28-24)26(29)30-25-11-5-7-17-6-1-2-8-20(17)25/h1-16H
InChIKey
FGJVAOLCZHESNT-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.03644 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.04372 205.0
[M+Na]+ 476.02566 215.6
[M-H]- 452.02916 216.8
[M+NH4]+ 471.07026 217.2
[M+K]+ 491.99960 202.7
[M+H-H2O]+ 436.03370 200.6
[M+HCOO]- 498.03464 222.1
[M+CH3COO]- 512.05029 215.8
[M+Na-2H]- 474.01111 211.4
[M]+ 453.03589 224.8
[M]- 453.03699 224.8
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.