CID 1934226

355419-73-7

Structural Information

Molecular Formula
C23H23Br2NO2
SMILES
CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H23Br2NO2/c1-2-3-4-5-6-13-28-23(27)20-15-22(16-7-9-17(24)10-8-16)26-21-12-11-18(25)14-19(20)21/h7-12,14-15H,2-6,13H2,1H3
InChIKey
JNWBEVPJUNPNRB-UHFFFAOYSA-N
Compound name
heptyl 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.00955 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.01683 192.5
[M+Na]+ 525.99877 200.6
[M-H]- 502.00227 200.2
[M+NH4]+ 521.04337 204.6
[M+K]+ 541.97271 184.8
[M+H-H2O]+ 486.00681 198.4
[M+HCOO]- 548.00775 204.5
[M+CH3COO]- 562.02340 234.1
[M+Na-2H]- 523.98422 195.3
[M]+ 503.00900 229.3
[M]- 503.01010 229.3
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.