CID 268763

Mls002704135

Structural Information

Molecular Formula
C20H23NO
SMILES
CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c1-20(2,3)21-14-17(18(21)15-10-6-4-7-11-15)19(22)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3
InChIKey
ZCTKIUWMGOTRNW-UHFFFAOYSA-N
Compound name
(1-tert-butyl-2-phenylazetidin-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 169.8
[M+Na]+ 316.16720 174.8
[M-H]- 292.17070 177.4
[M+NH4]+ 311.21180 177.4
[M+K]+ 332.14114 173.5
[M+H-H2O]+ 276.17524 155.9
[M+HCOO]- 338.17618 186.9
[M+CH3COO]- 352.19183 207.5
[M+Na-2H]- 314.15265 172.4
[M]+ 293.17743 177.4
[M]- 293.17853 177.4
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.