CID 22490279

227940-70-7

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CC(C)(C)OC(=O)N1CC2CN(CC(C1)C2=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H26N2O3/c1-19(2,3)24-18(23)21-12-15-10-20(11-16(13-21)17(15)22)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChIKey
NQUQKYBHLOZWLJ-UHFFFAOYSA-N
Compound name
tert-butyl 7-benzyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

330.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 182.2
[M+Na]+ 353.18356 186.4
[M-H]- 329.18706 184.1
[M+NH4]+ 348.22816 194.7
[M+K]+ 369.15750 183.0
[M+H-H2O]+ 313.19160 173.2
[M+HCOO]- 375.19254 192.7
[M+CH3COO]- 389.20819 210.3
[M+Na-2H]- 351.16901 184.4
[M]+ 330.19379 180.2
[M]- 330.19489 180.2
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

patents stripe