CID 482399

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

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H19N3O4/c1-20(13-15-9-5-6-10-17(15)22(25)26)19(24)21-16(12-18(21)23)11-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3/t16-/m1/s1
InChIKey
VTPYFOKNUIGDKC-MRXNPFEDSA-N
Compound name
(2R)-2-benzyl-N-methyl-N-[(2-nitrophenyl)methyl]-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 181.7
[M+Na]+ 376.12676 183.7
[M-H]- 352.13026 190.1
[M+NH4]+ 371.17136 185.3
[M+K]+ 392.10070 180.8
[M+H-H2O]+ 336.13480 169.2
[M+HCOO]- 398.13574 202.7
[M+CH3COO]- 412.15139 215.2
[M+Na-2H]- 374.11221 184.1
[M]+ 353.13699 188.9
[M]- 353.13809 188.9
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.