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

3
Patents

243.0718 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.079076 150.0
[M+Na]+ 266.061018 159.0
[M-H]- 242.064524 157.0
[M+NH4]+ 261.105623 166.5
[M+K]+ 282.034958 154.8
[M+H-H2O]+ 226.069060 142.5
[M+HCOO]- 288.070001 164.9
[M+CH3COO]- 302.085651 162.5
[M+Na-2H]- 264.046466 155.8
[M]+ 243.07125142 149.9
[M]- 243.07234858 149.9
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

patents stripe