CID 373037

Nsc648870

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CC1(CN(C2N1C(=O)C2(C)OC)C(=O)OCC3=CC=CC=C3)C
InChI
InChI=1S/C17H22N2O4/c1-16(2)11-18(13-17(3,22-4)14(20)19(13)16)15(21)23-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKey
OWBIWRLEEMMVHR-UHFFFAOYSA-N
Compound name
benzyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.165236 173.3
[M+Na]+ 341.147178 180.9
[M-H]- 317.150684 178.5
[M+NH4]+ 336.191783 185.7
[M+K]+ 357.121118 181.4
[M+H-H2O]+ 301.155220 162.4
[M+HCOO]- 363.156161 190.0
[M+CH3COO]- 377.171811 209.2
[M+Na-2H]- 339.132626 174.9
[M]+ 318.15741142 186.4
[M]- 318.15850858 186.4
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.