CID 3087431

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

Structural Information

Molecular Formula
C20H18N2O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C20H18N2O2S/c1-2-22-17-11-15(8-9-18(17)24-12-20(22)23)16-13-25-19(21-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKey
FCMXJHDSXFIRBI-UHFFFAOYSA-N
Compound name
6-(2-benzyl-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

350.1089 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11618 181.0
[M+Na]+ 373.09812 197.0
[M+NH4]+ 368.14272 189.9
[M+K]+ 389.07206 188.1
[M-H]- 349.10162 188.5
[M+Na-2H]- 371.08357 189.1
[M]+ 350.10835 186.1
[M]- 350.10945 186.1
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.