CID 3048664

Triethylamine, 2-chloro-2',2''-diphenoxy-, hydrochloride

Structural Information

Molecular Formula
C18H22ClNO2
SMILES
C1=CC=C(C=C1)OCCN(CCOC2=CC=CC=C2)CCCl
InChI
InChI=1S/C18H22ClNO2/c19-11-12-20(13-15-21-17-7-3-1-4-8-17)14-16-22-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
WSQXSTFHBQXSOG-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1339 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14118 175.6
[M+Na]+ 342.12312 180.3
[M-H]- 318.12662 182.1
[M+NH4]+ 337.16772 190.4
[M+K]+ 358.09706 175.9
[M+H-H2O]+ 302.13116 166.9
[M+HCOO]- 364.13210 195.9
[M+CH3COO]- 378.14775 209.9
[M+Na-2H]- 340.10857 180.4
[M]+ 319.13335 181.6
[M]- 319.13445 181.6
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.