CID 485500

6-chloro-4-thioxo-3-p-tolyl-3,4-dihydro-benzo[e][1,3]oxazin-2-one

Structural Information

Molecular Formula
C15H10ClNO2S
SMILES
CC1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=O
InChI
InChI=1S/C15H10ClNO2S/c1-9-2-5-11(6-3-9)17-14(20)12-8-10(16)4-7-13(12)19-15(17)18/h2-8H,1H3
InChIKey
ZGLYVEFLTRUWLM-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-methylphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.0121 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01938 162.8
[M+Na]+ 326.00132 176.5
[M-H]- 302.00482 171.2
[M+NH4]+ 321.04592 178.5
[M+K]+ 341.97526 170.5
[M+H-H2O]+ 286.00936 156.0
[M+HCOO]- 348.01030 175.6
[M+CH3COO]- 362.02595 176.2
[M+Na-2H]- 323.98677 167.3
[M]+ 303.01155 169.8
[M]- 303.01265 169.8
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.