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]+ 320.20088 178.1
[M+Na]+ 342.18282 182.7
[M-H]- 318.18632 186.5
[M+NH4]+ 337.22742 191.7
[M+K]+ 358.15676 177.6
[M+H-H2O]+ 302.19086 168.2
[M+HCOO]- 364.19180 195.2
[M+CH3COO]- 378.20745 187.8
[M+Na-2H]- 340.16827 180.1
[M]+ 319.19305 175.5
[M]- 319.19415 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.