CID 3048672

Ethylamine, 2-chloro-n-(2-methoxyphenoxyethyl)-n-(2-methylphenoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H26ClNO3
SMILES
CC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2OC)CCCl
InChI
InChI=1S/C20H26ClNO3/c1-17-7-3-4-8-18(17)24-15-13-22(12-11-21)14-16-25-20-10-6-5-9-19(20)23-2/h3-10H,11-16H2,1-2H3
InChIKey
CKCYQHUZBJHDLZ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16013 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16741 187.5
[M+Na]+ 386.14935 193.2
[M-H]- 362.15285 194.6
[M+NH4]+ 381.19395 201.2
[M+K]+ 402.12329 189.1
[M+H-H2O]+ 346.15739 178.7
[M+HCOO]- 408.15833 207.4
[M+CH3COO]- 422.17398 220.1
[M+Na-2H]- 384.13480 190.0
[M]+ 363.15958 196.5
[M]- 363.16068 196.5
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.