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]+ 319.16524 173.3
[M+Na]+ 341.14718 180.9
[M-H]- 317.15068 178.5
[M+NH4]+ 336.19178 185.7
[M+K]+ 357.12112 181.4
[M+H-H2O]+ 301.15522 162.4
[M+HCOO]- 363.15616 190.0
[M+CH3COO]- 377.17181 209.2
[M+Na-2H]- 339.13263 174.9
[M]+ 318.15741 186.4
[M]- 318.15851 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.