CID 204712

Wv 0020

Structural Information

Molecular Formula
C17H27Cl2NO
SMILES
CCCN(CCOC1=C(C=C(C(=C1)C)Cl)C(C)C)CCCl
InChI
InChI=1S/C17H27Cl2NO/c1-5-7-20(8-6-18)9-10-21-17-11-14(4)16(19)12-15(17)13(2)3/h11-13H,5-10H2,1-4H3
InChIKey
WODAQKDURIASTR-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14697 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15425 178.5
[M+Na]+ 354.13619 191.4
[M+NH4]+ 349.18079 186.7
[M+K]+ 370.11013 182.6
[M-H]- 330.13969 181.4
[M+Na-2H]- 352.12164 183.6
[M]+ 331.14642 181.8
[M]- 331.14752 181.8
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.