CID 482408

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

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CN(CC1=CC=C(C=C1)N)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2/c1-21(13-15-7-9-16(20)10-8-15)19(24)22-17(12-18(22)23)11-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3/t17-/m1/s1
InChIKey
BNIBTJJVRVBHKD-QGZVFWFLSA-N
Compound name
(2R)-N-[(4-aminophenyl)methyl]-2-benzyl-N-methyl-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.170676 180.4
[M+Na]+ 346.152618 184.0
[M-H]- 322.156124 188.7
[M+NH4]+ 341.197223 186.1
[M+K]+ 362.126558 184.1
[M+H-H2O]+ 306.160660 164.1
[M+HCOO]- 368.161601 201.1
[M+CH3COO]- 382.177251 218.4
[M+Na-2H]- 344.138066 180.6
[M]+ 323.16285142 187.7
[M]- 323.16394858 187.7
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

No patent data available for this compound.