CID 1921891

355419-71-5

Structural Information

Molecular Formula
C23H24BrNO2
SMILES
CCCCCCOC(=O)C1=CC(=NC2=C(C=CC=C12)C)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H24BrNO2/c1-3-4-5-6-14-27-23(26)20-15-21(17-10-12-18(24)13-11-17)25-22-16(2)8-7-9-19(20)22/h7-13,15H,3-6,14H2,1-2H3
InChIKey
YMFCPWUMHRAZMA-UHFFFAOYSA-N
Compound name
hexyl 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.09903 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10631 197.6
[M+Na]+ 448.08825 207.3
[M-H]- 424.09175 205.5
[M+NH4]+ 443.13285 211.3
[M+K]+ 464.06219 194.3
[M+H-H2O]+ 408.09629 194.4
[M+HCOO]- 470.09723 214.2
[M+CH3COO]- 484.11288 224.5
[M+Na-2H]- 446.07370 200.4
[M]+ 425.09848 219.9
[M]- 425.09958 219.9
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.