CID 6450797

119585-23-8

Structural Information

Molecular Formula
C24H29BrClNO2
SMILES
CCN(CC)CCCC(COC(=O)/C=C/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Br
InChI
InChI=1S/C24H29BrClNO2/c1-3-27(4-2)17-5-6-21(20-10-12-22(25)13-11-20)18-29-24(28)16-9-19-7-14-23(26)15-8-19/h7-16,21H,3-6,17-18H2,1-2H3/b16-9+
InChIKey
MCFACFPSQNTYPY-CXUHLZMHSA-N
Compound name
[2-(4-bromophenyl)-5-(diethylamino)pentyl] (E)-3-(4-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.10703 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.11431 210.0
[M+Na]+ 500.09625 217.1
[M-H]- 476.09975 218.5
[M+NH4]+ 495.14085 222.8
[M+K]+ 516.07019 202.8
[M+H-H2O]+ 460.10429 207.0
[M+HCOO]- 522.10523 224.2
[M+CH3COO]- 536.12088 235.1
[M+Na-2H]- 498.08170 208.9
[M]+ 477.10648 234.2
[M]- 477.10758 234.2
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.