CID 3009564

Chembl424045

Structural Information

Molecular Formula
C23H27NO4
SMILES
CC(C)(C)OC(=O)C1(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H27NO4/c1-22(2,3)28-20(25)23(16-18-10-6-4-7-11-18)14-15-24(23)21(26)27-17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChIKey
QIZVCNXUAROOEI-UHFFFAOYSA-N
Compound name
1-O-benzyl 2-O-tert-butyl 2-benzylazetidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.194 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 194.7
[M+Na]+ 404.18322 197.6
[M-H]- 380.18672 201.7
[M+NH4]+ 399.22782 200.0
[M+K]+ 420.15716 198.1
[M+H-H2O]+ 364.19126 180.2
[M+HCOO]- 426.19220 210.3
[M+CH3COO]- 440.20785 218.6
[M+Na-2H]- 402.16867 196.3
[M]+ 381.19345 205.7
[M]- 381.19455 205.7
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.