CID 373033

Nsc648866

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1(CNC2N1C(=O)C2(C)OCC3=CC=CC=C3)C
InChI
InChI=1S/C15H20N2O2/c1-14(2)10-16-12-15(3,13(18)17(12)14)19-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3
InChIKey
DQVBIFYVYXCTBY-UHFFFAOYSA-N
Compound name
2,2,6-trimethyl-6-phenylmethoxy-1,4-diazabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 160.6
[M+Na]+ 283.14169 168.4
[M-H]- 259.14519 164.6
[M+NH4]+ 278.18629 174.7
[M+K]+ 299.11563 167.1
[M+H-H2O]+ 243.14973 149.8
[M+HCOO]- 305.15067 177.1
[M+CH3COO]- 319.16632 197.0
[M+Na-2H]- 281.12714 164.2
[M]+ 260.15192 169.7
[M]- 260.15302 169.7
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.