CID 344054

3-methyl-1,4-diphenylazetidin-2-one

Structural Information

Molecular Formula
C16H15NO
SMILES
CC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c1-12-15(13-8-4-2-5-9-13)17(16(12)18)14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKey
QURMOGAHPSNBBS-UHFFFAOYSA-N
Compound name
3-methyl-1,4-diphenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 149.3
[M+Na]+ 260.10459 156.8
[M-H]- 236.10809 157.6
[M+NH4]+ 255.14919 159.4
[M+K]+ 276.07853 155.5
[M+H-H2O]+ 220.11263 135.7
[M+HCOO]- 282.11357 170.4
[M+CH3COO]- 296.12922 196.5
[M+Na-2H]- 258.09004 154.0
[M]+ 237.11482 157.2
[M]- 237.11592 157.2
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