CID 5278442

Chembl191762

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC(C)(C)NC(=O)C1(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H28N2O3/c1-22(2,3)24-20(26)23(16-18-10-6-4-7-11-18)14-15-25(23)21(27)28-17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,24,26)
InChIKey
JFIXROJBZJCSEH-UHFFFAOYSA-N
Compound name
benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.21 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 197.4
[M+Na]+ 403.19922 199.4
[M-H]- 379.20272 204.3
[M+NH4]+ 398.24382 202.4
[M+K]+ 419.17316 199.4
[M+H-H2O]+ 363.20726 182.4
[M+HCOO]- 425.20820 213.7
[M+CH3COO]- 439.22385 221.5
[M+Na-2H]- 401.18467 199.2
[M]+ 380.20945 206.2
[M]- 380.21055 206.2
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.