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]+ 261.159746 160.6
[M+Na]+ 283.141688 168.4
[M-H]- 259.145194 164.6
[M+NH4]+ 278.186293 174.7
[M+K]+ 299.115628 167.1
[M+H-H2O]+ 243.149730 149.8
[M+HCOO]- 305.150671 177.1
[M+CH3COO]- 319.166321 197.0
[M+Na-2H]- 281.127136 164.2
[M]+ 260.15192142 169.7
[M]- 260.15301858 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.