CID 6478333

Chembl336660

Structural Information

Molecular Formula
C19H16N2O4S
SMILES
CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)NC(=O)/C=C/C3=CC=C(C=C3)C=O
InChI
InChI=1S/C19H16N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)8-7-13-3-5-14(9-22)6-4-13/h3-10,12H,1-2H3,(H,20,23)/b8-7+/t12-/m0/s1
InChIKey
SKAVJECRXZJIAF-GUOLPTJISA-N
Compound name
(E)-3-(4-formylphenyl)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.08307 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09035 186.4
[M+Na]+ 391.07229 196.3
[M-H]- 367.07579 194.6
[M+NH4]+ 386.11689 199.4
[M+K]+ 407.04623 191.8
[M+H-H2O]+ 351.08033 178.8
[M+HCOO]- 413.08127 204.4
[M+CH3COO]- 427.09692 216.1
[M+Na-2H]- 389.05774 187.0
[M]+ 368.08252 194.0
[M]- 368.08362 194.0
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.