CID 3087439

2h-1,4-benzoxazin-3(4h)-one, 4-methyl-6-(2-(phenylamino)-4-thiazolyl)-

Structural Information

Molecular Formula
C18H15N3O2S
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=CC=C4
InChI
InChI=1S/C18H15N3O2S/c1-21-15-9-12(7-8-16(15)23-10-17(21)22)14-11-24-18(20-14)19-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKey
DYMKPLXZJPWSOH-UHFFFAOYSA-N
Compound name
6-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09578 176.3
[M+Na]+ 360.07772 185.7
[M-H]- 336.08122 185.5
[M+NH4]+ 355.12232 189.0
[M+K]+ 376.05166 180.6
[M+H-H2O]+ 320.08576 167.5
[M+HCOO]- 382.08670 191.9
[M+CH3COO]- 396.10235 187.3
[M+Na-2H]- 358.06317 178.7
[M]+ 337.08795 178.1
[M]- 337.08905 178.1
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.