CID 3088930

Sr 45031 a

Structural Information

Molecular Formula
C23H28BrCl2NO2
SMILES
CN(C)CCCCCCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)Br
InChI
InChI=1S/C23H28BrCl2NO2/c1-27(2)14-6-4-3-5-7-18(17-8-10-19(24)11-9-17)16-29-23(28)21-13-12-20(25)15-22(21)26/h8-13,15,18H,3-7,14,16H2,1-2H3
InChIKey
ZBPDYOWHLFIYGR-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-8-(dimethylamino)octyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.06805 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.07533 207.5
[M+Na]+ 522.05727 211.8
[M+NH4]+ 517.10187 211.3
[M+K]+ 538.03121 208.3
[M-H]- 498.06077 210.1
[M+Na-2H]- 520.04272 210.5
[M]+ 499.06750 208.3
[M]- 499.06860 208.3
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.