CID 6478350

(z)-n-[(1s)-1-(5-methyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-phenyl-3-(2-thienyl)prop-2-enamide

Structural Information

Molecular Formula
C22H18N2O3S2
SMILES
CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)NC(=O)/C=C(/C3=CC=CC=C3)\C4=CC=CS4
InChI
InChI=1S/C22H18N2O3S2/c1-13-12-29-21-19(13)22(26)27-20(24-21)14(2)23-18(25)11-16(17-9-6-10-28-17)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,25)/b16-11-/t14-/m0/s1
InChIKey
ZTAFVQVUYGQIRT-HNDQUVLASA-N
Compound name
(Z)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-phenyl-3-thiophen-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.0759 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08318 201.0
[M+Na]+ 445.06512 210.4
[M-H]- 421.06862 212.2
[M+NH4]+ 440.10972 213.8
[M+K]+ 461.03906 205.2
[M+H-H2O]+ 405.07316 195.1
[M+HCOO]- 467.07410 214.1
[M+CH3COO]- 481.08975 211.2
[M+Na-2H]- 443.05057 198.6
[M]+ 422.07535 207.9
[M]- 422.07645 207.9
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.