CID 3087440

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

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4C
InChI
InChI=1S/C19H17N3O2S/c1-12-3-6-14(7-4-12)20-19-21-15(11-25-19)13-5-8-17-16(9-13)22(2)18(23)10-24-17/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKey
BMHXCRLPFPNVIZ-UHFFFAOYSA-N
Compound name
4-methyl-6-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10416 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 181.1
[M+Na]+ 374.09338 196.3
[M+NH4]+ 369.13798 189.6
[M+K]+ 390.06732 188.2
[M-H]- 350.09688 188.9
[M+Na-2H]- 372.07883 188.8
[M]+ 351.10361 186.0
[M]- 351.10471 186.0
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.