CID 3039666

4-(3-(4-biphenylyl)propyl)morpholine hydrochloride

Structural Information

Molecular Formula
C19H23NO
SMILES
C1COCCN1CCCC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-2-6-18(7-3-1)19-10-8-17(9-11-19)5-4-12-20-13-15-21-16-14-20/h1-3,6-11H,4-5,12-16H2
InChIKey
RWXJOFLQRAFOPO-UHFFFAOYSA-N
Compound name
4-[3-(4-phenylphenyl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

281.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.4
[M+Na]+ 304.167198 172.0
[M-H]- 280.170704 175.6
[M+NH4]+ 299.211803 180.5
[M+K]+ 320.141138 168.2
[M+H-H2O]+ 264.175240 158.1
[M+HCOO]- 326.176181 186.0
[M+CH3COO]- 340.191831 178.2
[M+Na-2H]- 302.152646 173.0
[M]+ 281.17743142 164.9
[M]- 281.17852858 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe