CID 5278792

Benzyl 1-[1-[(2-methoxy-2-oxo-ethyl)carbamoyl]butyl]-4-oxo-azetidine-2-carboxylate

Structural Information

Molecular Formula
C19H24N2O6
SMILES
CCCC(C(=O)NCC(=O)OC)N1C(CC1=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H24N2O6/c1-3-7-14(18(24)20-11-17(23)26-2)21-15(10-16(21)22)19(25)27-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,20,24)
InChIKey
TVWXDQQDBLNOFC-UHFFFAOYSA-N
Compound name
benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.16342 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17070 191.5
[M+Na]+ 399.15264 192.2
[M-H]- 375.15614 195.1
[M+NH4]+ 394.19724 194.3
[M+K]+ 415.12658 194.9
[M+H-H2O]+ 359.16068 176.0
[M+HCOO]- 421.16162 208.0
[M+CH3COO]- 435.17727 222.4
[M+Na-2H]- 397.13809 187.9
[M]+ 376.16287 203.5
[M]- 376.16397 203.5
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.