CID 3087444

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

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC4=CC=CC=C4
InChI
InChI=1S/C19H17N3O2S/c1-2-22-16-10-13(8-9-17(16)24-11-18(22)23)15-12-25-19(21-15)20-14-6-4-3-5-7-14/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKey
LQFSHWIWYRGZSL-UHFFFAOYSA-N
Compound name
6-(2-anilino-1,3-thiazol-4-yl)-4-ethyl-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 180.6
[M+Na]+ 374.09338 189.5
[M-H]- 350.09688 189.6
[M+NH4]+ 369.13798 192.7
[M+K]+ 390.06732 184.2
[M+H-H2O]+ 334.10142 171.6
[M+HCOO]- 396.10236 195.9
[M+CH3COO]- 410.11801 191.2
[M+Na-2H]- 372.07883 182.5
[M]+ 351.10361 182.7
[M]- 351.10471 182.7
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.