CID 477476

Chembl106244

Structural Information

Molecular Formula
C23H18N2O5S
SMILES
CC1=CSC2=C1C(=O)OC(=N2)CC3=CC=C(C=C3)C(=O)C4=CC(=CC=C4)N(C(=O)C)O
InChI
InChI=1S/C23H18N2O5S/c1-13-12-31-22-20(13)23(28)30-19(24-22)10-15-6-8-16(9-7-15)21(27)17-4-3-5-18(11-17)25(29)14(2)26/h3-9,11-12,29H,10H2,1-2H3
InChIKey
YYUVBJSVGUHFJZ-UHFFFAOYSA-N
Compound name
N-hydroxy-N-[3-[4-[(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)methyl]benzoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.09363 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10091 202.6
[M+Na]+ 457.08285 211.6
[M-H]- 433.08635 214.1
[M+NH4]+ 452.12745 212.2
[M+K]+ 473.05679 208.3
[M+H-H2O]+ 417.09089 193.9
[M+HCOO]- 479.09183 219.4
[M+CH3COO]- 493.10748 212.9
[M+Na-2H]- 455.06830 202.3
[M]+ 434.09308 210.9
[M]- 434.09418 210.9
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.