CID 3009553

Chembl310030

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC(C)(C)OC(=O)C1(CC(=O)N1C(=O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H24N2O4/c1-21(2,3)28-19(26)22(14-16-10-6-4-7-11-16)15-18(25)24(22)20(27)23-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,23,27)
InChIKey
JXQWYCKHNIWMCQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 194.6
[M+Na]+ 403.16282 197.9
[M-H]- 379.16632 202.0
[M+NH4]+ 398.20742 199.6
[M+K]+ 419.13676 198.4
[M+H-H2O]+ 363.17086 179.9
[M+HCOO]- 425.17180 211.6
[M+CH3COO]- 439.18745 221.2
[M+Na-2H]- 401.14827 196.4
[M]+ 380.17305 204.2
[M]- 380.17415 204.2
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.