CID 3087429

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

Structural Information

Molecular Formula
C19H16N2O3S
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H16N2O3S/c1-21-16-9-13(5-8-17(16)24-10-18(21)22)15-11-25-19(20-15)12-3-6-14(23-2)7-4-12/h3-9,11H,10H2,1-2H3
InChIKey
STLWLHGELLFXBL-UHFFFAOYSA-N
Compound name
6-[2-(4-methoxyphenyl)-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

352.08817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09545 181.5
[M+Na]+ 375.07739 191.8
[M-H]- 351.08089 191.1
[M+NH4]+ 370.12199 194.1
[M+K]+ 391.05133 187.4
[M+H-H2O]+ 335.08543 172.9
[M+HCOO]- 397.08637 195.9
[M+CH3COO]- 411.10202 192.7
[M+Na-2H]- 373.06284 181.9
[M]+ 352.08762 185.9
[M]- 352.08872 185.9
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.