CID 212718

Propylamine, 3-(3,5-dichloro-2-methoxyphenoxy)-n,n-diethyl-

Structural Information

Molecular Formula
C14H21Cl2NO2
SMILES
CCN(CC)CCCOC1=C(C(=CC(=C1)Cl)Cl)OC
InChI
InChI=1S/C14H21Cl2NO2/c1-4-17(5-2)7-6-8-19-13-10-11(15)9-12(16)14(13)18-3/h9-10H,4-8H2,1-3H3
InChIKey
CCZCZRRWOOTGMX-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-2-methoxyphenoxy)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.09494 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10222 168.4
[M+Na]+ 328.08416 176.9
[M-H]- 304.08766 172.6
[M+NH4]+ 323.12876 185.9
[M+K]+ 344.05810 172.7
[M+H-H2O]+ 288.09220 163.2
[M+HCOO]- 350.09314 183.7
[M+CH3COO]- 364.10879 210.1
[M+Na-2H]- 326.06961 170.2
[M]+ 305.09439 177.8
[M]- 305.09549 177.8
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

patents stripe