CID 3087442

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

Structural Information

Molecular Formula
C18H14BrN3O2S
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C18H14BrN3O2S/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
DSUFMCZGQFDRQX-UHFFFAOYSA-N
Compound name
6-[2-(4-bromoanilino)-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

414.99902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.00630 178.6
[M+Na]+ 437.98824 183.9
[M+NH4]+ 433.03284 183.4
[M+K]+ 453.96218 182.6
[M-H]- 413.99174 183.9
[M+Na-2H]- 435.97369 183.1
[M]+ 414.99847 180.2
[M]- 414.99957 180.2
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.