CID 24835569

2h-1,4-benzoxazin-3(4h)-one, hexahydro-8a-phenyl-, cis-

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CC[C@]2([C@@H](C1)NC(=O)CO2)C3=CC=CC=C3
InChI
InChI=1S/C14H17NO2/c16-13-10-17-14(11-6-2-1-3-7-11)9-5-4-8-12(14)15-13/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-,14-/m1/s1
InChIKey
USNCHKSWQKCWLX-TZMCWYRMSA-N
Compound name
(4aR,8aR)-8a-phenyl-4,4a,5,6,7,8-hexahydrobenzo[b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 154.4
[M+Na]+ 254.11515 167.0
[M+NH4]+ 249.15975 164.8
[M+K]+ 270.08909 157.8
[M-H]- 230.11865 159.5
[M+Na-2H]- 252.10060 161.6
[M]+ 231.12538 157.7
[M]- 231.12648 157.7
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.