CID 6478320

Chembl137965

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3S/c1-11-10-24-17-15(11)18(22)23-16(20-17)12(2)19-14(21)9-8-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,21)/b9-8+/t12-/m0/s1
InChIKey
FRTYLWRLZAZFHC-BCPZQOPPSA-N
Compound name
(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.08817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09545 179.3
[M+Na]+ 363.07739 189.0
[M-H]- 339.08089 187.4
[M+NH4]+ 358.12199 193.6
[M+K]+ 379.05133 184.6
[M+H-H2O]+ 323.08543 171.9
[M+HCOO]- 385.08637 197.4
[M+CH3COO]- 399.10202 210.4
[M+Na-2H]- 361.06284 181.0
[M]+ 340.08762 185.6
[M]- 340.08872 185.6
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.