CID 299413

Imidazole, 1-(1-phenylethyl)-5-(morpholinomethyl)-

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC(C1=CC=CC=C1)N2C=NC=C2CN3CCOCC3
InChI
InChI=1S/C16H21N3O/c1-14(15-5-3-2-4-6-15)19-13-17-11-16(19)12-18-7-9-20-10-8-18/h2-6,11,13-14H,7-10,12H2,1H3
InChIKey
BCHLSUBXSFMTRW-UHFFFAOYSA-N
Compound name
4-[[3-(1-phenylethyl)imidazol-4-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.7
[M+Na]+ 294.15768 169.3
[M-H]- 270.16118 169.8
[M+NH4]+ 289.20228 176.3
[M+K]+ 310.13162 166.4
[M+H-H2O]+ 254.16572 153.9
[M+HCOO]- 316.16666 180.4
[M+CH3COO]- 330.18231 174.5
[M+Na-2H]- 292.14313 166.7
[M]+ 271.16791 161.5
[M]- 271.16901 161.5
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.