CID 482403

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

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC(C)C1=CC=C(C=C1)CN(C)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-16(2)19-11-9-18(10-12-19)15-23(3)22(26)24-20(14-21(24)25)13-17-7-5-4-6-8-17/h4-12,16,20H,13-15H2,1-3H3/t20-/m1/s1
InChIKey
AGVDLPDVHOWFGT-HXUWFJFHSA-N
Compound name
(2R)-2-benzyl-N-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 188.6
[M+Na]+ 373.18865 191.7
[M-H]- 349.19215 197.1
[M+NH4]+ 368.23325 193.8
[M+K]+ 389.16259 191.8
[M+H-H2O]+ 333.19669 172.6
[M+HCOO]- 395.19763 207.0
[M+CH3COO]- 409.21328 223.5
[M+Na-2H]- 371.17410 186.7
[M]+ 350.19888 198.0
[M]- 350.19998 198.0
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.