CID 3055339

1-hexanamine, 6-(2-(2-(2-chlorophenyl)ethyl)phenoxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C22H30ClNO
SMILES
CN(C)CCCCCCOC1=CC=CC=C1CCC2=CC=CC=C2Cl
InChI
InChI=1S/C22H30ClNO/c1-24(2)17-9-3-4-10-18-25-22-14-8-6-12-20(22)16-15-19-11-5-7-13-21(19)23/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3
InChIKey
MFUIRLXWMLZCON-UHFFFAOYSA-N
Compound name
6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

359.2016 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20888 191.1
[M+Na]+ 382.19082 196.1
[M-H]- 358.19432 197.6
[M+NH4]+ 377.23542 205.0
[M+K]+ 398.16476 190.2
[M+H-H2O]+ 342.19886 182.2
[M+HCOO]- 404.19980 209.8
[M+CH3COO]- 418.21545 222.0
[M+Na-2H]- 380.17627 192.2
[M]+ 359.20105 197.9
[M]- 359.20215 197.9
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