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]+ 372.05681 183.6
[M+Na]+ 394.03875 199.8
[M+NH4]+ 389.08335 192.5
[M+K]+ 410.01269 190.9
[M-H]- 370.04225 191.4
[M+Na-2H]- 392.02420 191.6
[M]+ 371.04898 189.0
[M]- 371.05008 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.