CID 3087434

2h-1,4-benzoxazin-3(4h)-one, 6-(2-(phenylamino)-4-thiazolyl)-

Structural Information

Molecular Formula
C17H13N3O2S
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC4=CC=CC=C4
InChI
InChI=1S/C17H13N3O2S/c21-16-9-22-15-7-6-11(8-13(15)19-16)14-10-23-17(20-14)18-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,18,20)(H,19,21)
InChIKey
XCZJKPMFKDQJJI-UHFFFAOYSA-N
Compound name
6-(2-anilino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07285 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08013 170.1
[M+Na]+ 346.06207 178.7
[M-H]- 322.06557 177.9
[M+NH4]+ 341.10667 182.5
[M+K]+ 362.03601 173.0
[M+H-H2O]+ 306.07011 161.8
[M+HCOO]- 368.07105 184.7
[M+CH3COO]- 382.08670 180.8
[M+Na-2H]- 344.04752 173.6
[M]+ 323.07230 169.5
[M]- 323.07340 169.5
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.