CID 56843574

Brn 5037738

Structural Information

Molecular Formula
C15H19NO2
SMILES
CN1[C@@H]2CCCC[C@]2(OCC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c1-16-13-9-5-6-10-15(13,18-11-14(16)17)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,15+/m1/s1
InChIKey
RKPZPNMXVNCCCO-HIFRSBDPSA-N
Compound name
(4aR,8aS)-4-methyl-8a-phenyl-5,6,7,8-tetrahydro-4aH-benzo[b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 156.5
[M+Na]+ 268.130808 162.2
[M-H]- 244.134314 162.3
[M+NH4]+ 263.175413 173.7
[M+K]+ 284.104748 160.0
[M+H-H2O]+ 228.138850 148.1
[M+HCOO]- 290.139791 171.5
[M+CH3COO]- 304.155441 167.5
[M+Na-2H]- 266.116256 162.3
[M]+ 245.14104142 151.8
[M]- 245.14213858 151.8
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.