CID 3671030

355421-77-1

Structural Information

Molecular Formula
C26H15BrClNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H15BrClNO2/c27-18-10-13-23-21(14-18)22(15-24(29-23)17-8-11-19(28)12-9-17)26(30)31-25-7-3-5-16-4-1-2-6-20(16)25/h1-15H
InChIKey
FVDIBXLXCAIZDQ-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.99747 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.00475 209.5
[M+Na]+ 509.98669 222.0
[M-H]- 485.99019 221.4
[M+NH4]+ 505.03129 221.7
[M+K]+ 525.96063 208.0
[M+H-H2O]+ 469.99473 205.5
[M+HCOO]- 531.99567 222.4
[M+CH3COO]- 546.01132 220.4
[M+Na-2H]- 507.97214 215.0
[M]+ 486.99692 232.2
[M]- 486.99802 232.2
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.