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]+ 272.175736 164.7
[M+Na]+ 294.157678 169.3
[M-H]- 270.161184 169.8
[M+NH4]+ 289.202283 176.3
[M+K]+ 310.131618 166.4
[M+H-H2O]+ 254.165720 153.9
[M+HCOO]- 316.166661 180.4
[M+CH3COO]- 330.182311 174.5
[M+Na-2H]- 292.143126 166.7
[M]+ 271.16791142 161.5
[M]- 271.16900858 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.