CID 218130

Propiophenone, 3-(1-azetidinyl)-2-phenyl-, maleate

Structural Information

Molecular Formula
C18H19NO
SMILES
C1CN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c20-18(16-10-5-2-6-11-16)17(14-19-12-7-13-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
InChIKey
WUNWIGLFLQRHSJ-UHFFFAOYSA-N
Compound name
3-(azetidin-1-yl)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 160.4
[M+Na]+ 288.135888 163.6
[M-H]- 264.139394 167.2
[M+NH4]+ 283.180493 168.2
[M+K]+ 304.109828 162.8
[M+H-H2O]+ 248.143930 145.8
[M+HCOO]- 310.144871 178.8
[M+CH3COO]- 324.160521 200.7
[M+Na-2H]- 286.121336 163.7
[M]+ 265.14612142 166.5
[M]- 265.14721858 166.5
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.