CID 3088898

Sr 44428 a

Structural Information

Molecular Formula
C20H21Cl4NO2
SMILES
CN(C)CCCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C20H21Cl4NO2/c1-25(2)9-3-4-14(13-5-8-17(22)19(24)10-13)12-27-20(26)16-7-6-15(21)11-18(16)23/h5-8,10-11,14H,3-4,9,12H2,1-2H3
InChIKey
BNWNZQIIHNUQOP-UHFFFAOYSA-N
Compound name
[2-(3,4-dichlorophenyl)-5-(dimethylamino)pentyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.03265 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.03993 197.1
[M+Na]+ 470.02187 204.5
[M-H]- 446.02537 201.2
[M+NH4]+ 465.06647 208.3
[M+K]+ 485.99581 198.3
[M+H-H2O]+ 430.02991 191.6
[M+HCOO]- 492.03085 199.2
[M+CH3COO]- 506.04650 232.8
[M+Na-2H]- 468.00732 193.3
[M]+ 447.03210 204.6
[M]- 447.03320 204.6
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.