CID 3009563

Chembl305827

Structural Information

Molecular Formula
C23H25NO5
SMILES
CC(C)(C)OC(=O)C1(CC(=O)N1C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H25NO5/c1-22(2,3)29-20(26)23(14-17-10-6-4-7-11-17)15-19(25)24(23)21(27)28-16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKey
IMXFDQWJHANVCK-UHFFFAOYSA-N
Compound name
1-O-benzyl 2-O-tert-butyl 2-benzyl-4-oxoazetidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 195.9
[M+Na]+ 418.16250 199.6
[M-H]- 394.16600 203.3
[M+NH4]+ 413.20710 200.7
[M+K]+ 434.13644 200.4
[M+H-H2O]+ 378.17054 181.6
[M+HCOO]- 440.17148 211.9
[M+CH3COO]- 454.18713 221.1
[M+Na-2H]- 416.14795 197.1
[M]+ 395.17273 208.0
[M]- 395.17383 208.0
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.