CID 218130

3-(1-azetidinyl)-2-phenylpropiophenone 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]+ 266.15395 160.4
[M+Na]+ 288.13589 163.6
[M-H]- 264.13939 167.2
[M+NH4]+ 283.18049 168.2
[M+K]+ 304.10983 162.8
[M+H-H2O]+ 248.14393 145.8
[M+HCOO]- 310.14487 178.8
[M+CH3COO]- 324.16052 200.7
[M+Na-2H]- 286.12134 163.7
[M]+ 265.14612 166.5
[M]- 265.14722 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.