CID 373029

Nsc648862

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(C)C1CNC2N1C(=O)C2(C)OCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O2/c1-11(2)13-9-17-14-16(3,15(19)18(13)14)20-10-12-7-5-4-6-8-12/h4-8,11,13-14,17H,9-10H2,1-3H3
InChIKey
VNZBYAMUNLVHEA-UHFFFAOYSA-N
Compound name
6-methyl-6-phenylmethoxy-2-propan-2-yl-1,4-diazabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 166.1
[M+Na]+ 297.15734 172.0
[M-H]- 273.16084 169.5
[M+NH4]+ 292.20194 177.4
[M+K]+ 313.13128 171.1
[M+H-H2O]+ 257.16538 154.2
[M+HCOO]- 319.16632 181.2
[M+CH3COO]- 333.18197 201.0
[M+Na-2H]- 295.14279 166.8
[M]+ 274.16757 174.4
[M]- 274.16867 174.4
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.