CID 3007534

4-[(e)-2-imidazol-1-yl-2-(2-sec-butoxyphenyl)vinyl]morpholine

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCC(C)OC1=CC=CC=C1/C(=C\N2CCOCC2)/N3C=CN=C3
InChI
InChI=1S/C19H25N3O2/c1-3-16(2)24-19-7-5-4-6-17(19)18(22-9-8-20-15-22)14-21-10-12-23-13-11-21/h4-9,14-16H,3,10-13H2,1-2H3/b18-14+
InChIKey
OHCDKTPEODCCSW-NBVRZTHBSA-N
Compound name
4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.5
[M+Na]+ 350.18389 183.6
[M-H]- 326.18739 185.3
[M+NH4]+ 345.22849 189.6
[M+K]+ 366.15783 180.6
[M+H-H2O]+ 310.19193 169.2
[M+HCOO]- 372.19287 194.5
[M+CH3COO]- 386.20852 207.3
[M+Na-2H]- 348.16934 179.8
[M]+ 327.19412 178.3
[M]- 327.19522 178.3
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

No patent data available for this compound.