CID 373038

Nsc648871

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC1(CN(C2N1C(=O)C2(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C
InChI
InChI=1S/C23H26N2O4/c1-22(2)16-24(21(27)28-14-17-10-6-4-7-11-17)19-23(3,20(26)25(19)22)29-15-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3
InChIKey
ZJWBFAGXQGDJBF-UHFFFAOYSA-N
Compound name
benzyl 2,2,6-trimethyl-7-oxo-6-phenylmethoxy-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 195.1
[M+Na]+ 417.17849 201.4
[M-H]- 393.18199 202.9
[M+NH4]+ 412.22309 203.8
[M+K]+ 433.15243 200.4
[M+H-H2O]+ 377.18653 181.3
[M+HCOO]- 439.18747 211.0
[M+CH3COO]- 453.20312 222.4
[M+Na-2H]- 415.16394 195.4
[M]+ 394.18872 207.5
[M]- 394.18982 207.5
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.