CID 5494907

Chembl141722

Structural Information

Molecular Formula
C24H20N2O3S
SMILES
CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)NC(=O)C=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O3S/c1-15-14-30-23-21(15)24(28)29-22(26-23)16(2)25-20(27)13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16H,1-2H3,(H,25,27)/t16-/m0/s1
InChIKey
OAGFVVCBRGQAJA-INIZCTEOSA-N
Compound name
N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3,3-diphenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.11948 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12676 200.8
[M+Na]+ 439.10870 208.6
[M-H]- 415.11220 211.5
[M+NH4]+ 434.15330 211.1
[M+K]+ 455.08264 203.4
[M+H-H2O]+ 399.11674 192.0
[M+HCOO]- 461.11768 217.2
[M+CH3COO]- 475.13333 210.5
[M+Na-2H]- 437.09415 200.9
[M]+ 416.11893 205.8
[M]- 416.12003 205.8
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.