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 152.6
[M+Na]+ 254.11515 157.4
[M-H]- 230.11865 156.8
[M+NH4]+ 249.15975 169.4
[M+K]+ 270.08909 154.4
[M+H-H2O]+ 214.12319 144.4
[M+HCOO]- 276.12413 166.4
[M+CH3COO]- 290.13978 163.0
[M+Na-2H]- 252.10060 159.2
[M]+ 231.12538 145.3
[M]- 231.12648 145.3
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.