CID 3087435

2h-1,4-benzoxazin-3(4h)-one, 6-(2-((4-methylphenyl)amino)-4-thiazolyl)-

Structural Information

Molecular Formula
C18H15N3O2S
SMILES
CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4
InChI
InChI=1S/C18H15N3O2S/c1-11-2-5-13(6-3-11)19-18-21-15(10-24-18)12-4-7-16-14(8-12)20-17(22)9-23-16/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)
InChIKey
BWWHBDMPQPUBCD-UHFFFAOYSA-N
Compound name
6-[2-(4-methylanilino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0885 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09578 175.7
[M+Na]+ 360.07772 184.6
[M-H]- 336.08122 183.6
[M+NH4]+ 355.12232 187.8
[M+K]+ 376.05166 178.7
[M+H-H2O]+ 320.08576 167.3
[M+HCOO]- 382.08670 189.9
[M+CH3COO]- 396.10235 186.1
[M+Na-2H]- 358.06317 177.9
[M]+ 337.08795 175.8
[M]- 337.08905 175.8
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.