CID 24901747

Chembl281260

Structural Information

Molecular Formula
C20H24Cl4N2O2
SMILES
CCCNC(C1=C(C=C(C=C1Cl)O)Cl)C(C2=C(C=C(C=C2Cl)O)Cl)NCCC
InChI
InChI=1S/C20H24Cl4N2O2/c1-3-5-25-19(17-13(21)7-11(27)8-14(17)22)20(26-6-4-2)18-15(23)9-12(28)10-16(18)24/h7-10,19-20,25-28H,3-6H2,1-2H3
InChIKey
NFAUBICPOYADJV-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)-1,2-bis(propylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

464.0592 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.06648 201.7
[M+Na]+ 487.04842 208.4
[M-H]- 463.05192 202.5
[M+NH4]+ 482.09302 210.7
[M+K]+ 503.02236 200.8
[M+H-H2O]+ 447.05646 197.7
[M+HCOO]- 509.05740 201.6
[M+CH3COO]- 523.07305 234.0
[M+Na-2H]- 485.03387 196.8
[M]+ 464.05865 205.5
[M]- 464.05975 205.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.