CID 3087441

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

Structural Information

Molecular Formula
C18H14ClN3O2S
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN3O2S/c1-22-15-8-11(2-7-16(15)24-9-17(22)23)14-10-25-18(21-14)20-13-5-3-12(19)4-6-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKey
GVVPBQZLYSOLLE-UHFFFAOYSA-N
Compound name
6-[2-(4-chloroanilino)-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

371.04953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.056806 184.7
[M+Na]+ 394.038748 195.4
[M-H]- 370.042254 194.0
[M+NH4]+ 389.083353 197.1
[M+K]+ 410.012688 189.2
[M+H-H2O]+ 354.046790 176.4
[M+HCOO]- 416.047731 195.5
[M+CH3COO]- 430.063381 195.5
[M+Na-2H]- 392.024196 185.7
[M]+ 371.04898142 189.0
[M]- 371.05007858 189.0
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.