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 181.6
[M+Na]+ 374.09338 191.4
[M-H]- 350.09688 191.1
[M+NH4]+ 369.13798 194.1
[M+K]+ 390.06732 186.1
[M+H-H2O]+ 334.10142 172.9
[M+HCOO]- 396.10236 196.8
[M+CH3COO]- 410.11801 192.5
[M+Na-2H]- 372.07883 182.8
[M]+ 351.10361 184.2
[M]- 351.10471 184.2
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.