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]+ 353.18596 189.2
[M+Na]+ 375.16790 191.3
[M-H]- 351.17140 196.1
[M+NH4]+ 370.21250 194.9
[M+K]+ 391.14184 191.6
[M+H-H2O]+ 335.17594 173.9
[M+HCOO]- 397.17688 206.7
[M+CH3COO]- 411.19253 216.9
[M+Na-2H]- 373.15335 189.8
[M]+ 352.17813 197.2
[M]- 352.17923 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.