CID 5278444

Benzyl 2-benzyl-2-[[(1r)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C23H26N2O5
SMILES
C[C@H](C(=O)OC)NC(=O)C1(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H26N2O5/c1-17(20(26)29-2)24-21(27)23(15-18-9-5-3-6-10-18)13-14-25(23)22(28)30-16-19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H,24,27)/t17-,23?/m1/s1
InChIKey
ULXBZEGBZCDGAW-LIXIDFRTSA-N
Compound name
benzyl 2-benzyl-2-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 203.3
[M+Na]+ 433.17339 203.7
[M-H]- 409.17689 209.7
[M+NH4]+ 428.21799 206.2
[M+K]+ 449.14733 205.4
[M+H-H2O]+ 393.18143 187.3
[M+HCOO]- 455.18237 219.5
[M+CH3COO]- 469.19802 226.2
[M+Na-2H]- 431.15884 201.9
[M]+ 410.18362 213.2
[M]- 410.18472 213.2
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.