CID 759315

2-phenyl-5,6,7,8-tetrahydro-benzo(e)(1,3)oxazine-4-thione

Structural Information

Molecular Formula
C14H13NOS
SMILES
C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C14H13NOS/c17-14-11-8-4-5-9-12(11)16-13(15-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
ADESGXWSHWCJOO-UHFFFAOYSA-N
Compound name
2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

243.0718 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07908 150.4
[M+Na]+ 266.06102 166.6
[M+NH4]+ 261.10562 160.9
[M+K]+ 282.03496 156.0
[M-H]- 242.06452 157.5
[M+Na-2H]- 264.04647 159.3
[M]+ 243.07125 155.5
[M]- 243.07235 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.