CID 482406

(2r)-2-benzyl-n-[(4-cyanophenyl)methyl]-n-methyl-4-oxo-azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CN(CC1=CC=C(C=C1)C#N)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H19N3O2/c1-22(14-17-9-7-16(13-21)8-10-17)20(25)23-18(12-19(23)24)11-15-5-3-2-4-6-15/h2-10,18H,11-12,14H2,1H3/t18-/m1/s1
InChIKey
ZHVRNBDSXGKBDL-GOSISDBHSA-N
Compound name
(2R)-2-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.7
[M+Na]+ 356.13696 185.7
[M-H]- 332.14046 186.1
[M+NH4]+ 351.18156 184.5
[M+K]+ 372.11090 185.0
[M+H-H2O]+ 316.14500 158.1
[M+HCOO]- 378.14594 196.1
[M+CH3COO]- 392.16159 226.3
[M+Na-2H]- 354.12241 179.7
[M]+ 333.14719 182.5
[M]- 333.14829 182.5
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.