CID 373032

Nsc648865

Structural Information

Molecular Formula
C24H28N2O4
SMILES
CC(C)C1CN(C2N1C(=O)C2(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C24H28N2O4/c1-17(2)20-14-25(23(28)29-15-18-10-6-4-7-11-18)21-24(3,22(27)26(20)21)30-16-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3
InChIKey
DWEHYYMYUHOBEE-UHFFFAOYSA-N
Compound name
benzyl 6-methyl-7-oxo-6-phenylmethoxy-2-propan-2-yl-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2049 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 200.1
[M+Na]+ 431.19412 204.4
[M-H]- 407.19762 207.2
[M+NH4]+ 426.23872 205.9
[M+K]+ 447.16806 203.6
[M+H-H2O]+ 391.20216 185.4
[M+HCOO]- 453.20310 214.5
[M+CH3COO]- 467.21875 226.4
[M+Na-2H]- 429.17957 197.5
[M]+ 408.20435 211.6
[M]- 408.20545 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.