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]+ 246.14887 156.5
[M+Na]+ 268.13081 162.2
[M-H]- 244.13431 162.3
[M+NH4]+ 263.17541 173.7
[M+K]+ 284.10475 160.0
[M+H-H2O]+ 228.13885 148.1
[M+HCOO]- 290.13979 171.5
[M+CH3COO]- 304.15544 167.5
[M+Na-2H]- 266.11626 162.3
[M]+ 245.14104 151.8
[M]- 245.14214 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.