CID 6320931

Chembl192562

Structural Information

Molecular Formula
C24H30N2O3
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)N2CCC2(CC3=CC=CC=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C24H30N2O3/c1-18(20-13-9-6-10-14-20)25-22(28)26-16-15-24(26,21(27)29-23(2,3)4)17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3,(H,25,28)/t18-,24?/m1/s1
InChIKey
YQQLPPRKZSVPOD-QFADGXAASA-N
Compound name
tert-butyl 2-benzyl-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.22565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 202.8
[M+Na]+ 417.21487 204.0
[M-H]- 393.21837 209.5
[M+NH4]+ 412.25947 207.0
[M+K]+ 433.18881 204.4
[M+H-H2O]+ 377.22291 187.8
[M+HCOO]- 439.22385 217.7
[M+CH3COO]- 453.23950 225.2
[M+Na-2H]- 415.20032 202.8
[M]+ 394.22510 211.3
[M]- 394.22620 211.3
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.