CID 204720

Wv 0080

Structural Information

Molecular Formula
C17H28ClNO
SMILES
CCN(CCCl)C(C)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C17H28ClNO/c1-6-19(10-9-18)15(5)12-20-17-11-14(4)7-8-16(17)13(2)3/h7-8,11,13,15H,6,9-10,12H2,1-5H3
InChIKey
OHOIPOSWPOTKDI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.18594 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19322 174.1
[M+Na]+ 320.17516 179.6
[M-H]- 296.17866 178.4
[M+NH4]+ 315.21976 191.1
[M+K]+ 336.14910 176.5
[M+H-H2O]+ 280.18320 167.8
[M+HCOO]- 342.18414 191.3
[M+CH3COO]- 356.19979 213.4
[M+Na-2H]- 318.16061 173.2
[M]+ 297.18539 180.6
[M]- 297.18649 180.6
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.