CID 205064

4-(3-((p-chloro-alpha-phenylbenzyl)oxy)propyl)morpholine hydrochloride

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
C1COCCN1CCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClNO2/c21-19-9-7-18(8-10-19)20(17-5-2-1-3-6-17)24-14-4-11-22-12-15-23-16-13-22/h1-3,5-10,20H,4,11-16H2
InChIKey
YTBYOZGVKRTJCB-UHFFFAOYSA-N
Compound name
4-[3-[(4-chlorophenyl)-phenylmethoxy]propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14957 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 183.0
[M+Na]+ 368.13879 186.5
[M-H]- 344.14229 189.8
[M+NH4]+ 363.18339 193.2
[M+K]+ 384.11273 181.9
[M+H-H2O]+ 328.14683 172.8
[M+HCOO]- 390.14777 194.7
[M+CH3COO]- 404.16342 191.6
[M+Na-2H]- 366.12424 185.3
[M]+ 345.14902 183.0
[M]- 345.15012 183.0
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.