CID 479062

Tert-butyl 4-[(2r,3s)-1-(benzylcarbamoyl)-3-methyl-4-oxo-azetidin-2-yl]oxybenzoate

Structural Information

Molecular Formula
C23H26N2O5
SMILES
C[C@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C23H26N2O5/c1-15-19(26)25(22(28)24-14-16-8-6-5-7-9-16)20(15)29-18-12-10-17(11-13-18)21(27)30-23(2,3)4/h5-13,15,20H,14H2,1-4H3,(H,24,28)/t15-,20-/m1/s1
InChIKey
HDAAXTFTPGOUAO-FOIQADDNSA-N
Compound name
tert-butyl 4-[(2R,3S)-1-(benzylcarbamoyl)-3-methyl-4-oxoazetidin-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.18417 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 200.6
[M+Na]+ 433.17339 203.6
[M-H]- 409.17689 208.0
[M+NH4]+ 428.21799 202.7
[M+K]+ 449.14733 204.6
[M+H-H2O]+ 393.18143 184.7
[M+HCOO]- 455.18237 217.1
[M+CH3COO]- 469.19802 229.2
[M+Na-2H]- 431.15884 199.5
[M]+ 410.18362 212.1
[M]- 410.18472 212.1
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.