CID 3533883

1,4-diphenyl-3-propyl-2-azetidinone

Structural Information

Molecular Formula
C18H19NO
SMILES
CCCC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c1-2-9-16-17(14-10-5-3-6-11-14)19(18(16)20)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3
InChIKey
PBZSIBUXORWFTB-UHFFFAOYSA-N
Compound name
1,4-diphenyl-3-propylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

265.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 158.7
[M+Na]+ 288.135888 165.3
[M-H]- 264.139394 166.6
[M+NH4]+ 283.180493 167.6
[M+K]+ 304.109828 163.5
[M+H-H2O]+ 248.143930 144.7
[M+HCOO]- 310.144871 179.0
[M+CH3COO]- 324.160521 202.3
[M+Na-2H]- 286.121336 162.3
[M]+ 265.14612142 167.2
[M]- 265.14721858 167.2
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

patents stripe