CID 45333

2-chloro-bis-n-(2-methoxyphenoxyethyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C20H26ClNO4
SMILES
COC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2OC)CCCl
InChI
InChI=1S/C20H26ClNO4/c1-23-17-7-3-5-9-19(17)25-15-13-22(12-11-21)14-16-26-20-10-6-4-8-18(20)24-2/h3-10H,11-16H2,1-2H3
InChIKey
VLMIKVJQTPTVQR-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(2-methoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.15503 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16231 190.0
[M+Na]+ 402.14425 195.4
[M-H]- 378.14775 197.0
[M+NH4]+ 397.18885 202.9
[M+K]+ 418.11819 192.1
[M+H-H2O]+ 362.15229 181.0
[M+HCOO]- 424.15323 210.1
[M+CH3COO]- 438.16888 222.1
[M+Na-2H]- 400.12970 192.6
[M]+ 379.15448 200.4
[M]- 379.15558 200.4
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.