CID 482402

(2r)-2-benzyl-n-methyl-4-oxo-n-(p-tolylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC1=CC=C(C=C1)CN(C)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-15-8-10-17(11-9-15)14-21(2)20(24)22-18(13-19(22)23)12-16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKey
IYJJQHDYSQZMHO-GOSISDBHSA-N
Compound name
(2R)-2-benzyl-N-methyl-N-[(4-methylphenyl)methyl]-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.1
[M+Na]+ 345.15734 182.5
[M-H]- 321.16084 186.9
[M+NH4]+ 340.20194 184.6
[M+K]+ 361.13128 182.4
[M+H-H2O]+ 305.16538 162.4
[M+HCOO]- 367.16632 198.3
[M+CH3COO]- 381.18197 216.9
[M+Na-2H]- 343.14279 178.6
[M]+ 322.16757 187.5
[M]- 322.16867 187.5
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.