CID 6478336

(e)-3-cyclopenta-1,4-dien-1-yl-n-[(1s)-1-(5-methyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)ethyl]prop-2-enamide

Structural Information

Molecular Formula
C17H16N2O3S
SMILES
CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)NC(=O)/C=C/C3=CCC=C3
InChI
InChI=1S/C17H16N2O3S/c1-10-9-23-16-14(10)17(21)22-15(19-16)11(2)18-13(20)8-7-12-5-3-4-6-12/h3,5-9,11H,4H2,1-2H3,(H,18,20)/b8-7+/t11-/m0/s1
InChIKey
FARQKLVBRHYRRL-AEZGRPFRSA-N
Compound name
(E)-3-cyclopenta-1,4-dien-1-yl-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

328.08817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09545 177.5
[M+Na]+ 351.07739 187.6
[M-H]- 327.08089 186.2
[M+NH4]+ 346.12199 194.3
[M+K]+ 367.05133 184.0
[M+H-H2O]+ 311.08543 171.5
[M+HCOO]- 373.08637 196.9
[M+CH3COO]- 387.10202 207.4
[M+Na-2H]- 349.06284 177.0
[M]+ 328.08762 184.5
[M]- 328.08872 184.5
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.