CID 5278440

Methyl 2-benzyl-1-[[(1s)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate

Structural Information

Molecular Formula
C21H24N2O3
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)N2CCC2(CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C21H24N2O3/c1-16(18-11-7-4-8-12-18)22-20(25)23-14-13-21(23,19(24)26-2)15-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H,22,25)/t16-,21?/m0/s1
InChIKey
HWSRODHWXBZVDE-BJQOMGFOSA-N
Compound name
methyl 2-benzyl-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 189.2
[M+Na]+ 375.167898 191.3
[M-H]- 351.171404 196.1
[M+NH4]+ 370.212503 194.9
[M+K]+ 391.141838 191.6
[M+H-H2O]+ 335.175940 173.9
[M+HCOO]- 397.176881 206.7
[M+CH3COO]- 411.192531 216.9
[M+Na-2H]- 373.153346 189.8
[M]+ 352.17813142 197.2
[M]- 352.17922858 197.2
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.