CID 204480

Morpholine, 4-(2-(2-benzylinden-3-yl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H25NO
SMILES
C1COCCN1CCC2=C(CC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C22H25NO/c1-2-6-18(7-3-1)16-20-17-19-8-4-5-9-21(19)22(20)10-11-23-12-14-24-15-13-23/h1-9H,10-17H2
InChIKey
XFDVOAZZPCGHJG-UHFFFAOYSA-N
Compound name
4-[2-(2-benzyl-3H-inden-1-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 178.1
[M+Na]+ 342.182818 182.7
[M-H]- 318.186324 186.5
[M+NH4]+ 337.227423 191.7
[M+K]+ 358.156758 177.6
[M+H-H2O]+ 302.190860 168.2
[M+HCOO]- 364.191801 195.2
[M+CH3COO]- 378.207451 187.8
[M+Na-2H]- 340.168266 180.1
[M]+ 319.19305142 175.5
[M]- 319.19414858 175.5
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.