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]+ 275.175396 166.1
[M+Na]+ 297.157338 172.0
[M-H]- 273.160844 169.5
[M+NH4]+ 292.201943 177.4
[M+K]+ 313.131278 171.1
[M+H-H2O]+ 257.165380 154.2
[M+HCOO]- 319.166321 181.2
[M+CH3COO]- 333.181971 201.0
[M+Na-2H]- 295.142786 166.8
[M]+ 274.16757142 174.4
[M]- 274.16866858 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.