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]+ 324.17068 180.4
[M+Na]+ 346.15262 184.0
[M-H]- 322.15612 188.7
[M+NH4]+ 341.19722 186.1
[M+K]+ 362.12656 184.1
[M+H-H2O]+ 306.16066 164.1
[M+HCOO]- 368.16160 201.1
[M+CH3COO]- 382.17725 218.4
[M+Na-2H]- 344.13807 180.6
[M]+ 323.16285 187.7
[M]- 323.16395 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.