CID 16226658

956727-79-0

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
CCOC1=CC=C(C=C1)C2N3[C@@H](CS2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN2O3S/c1-2-25-15-9-3-12(4-10-15)18-22-16(11-26-18)17(23)21(19(22)24)14-7-5-13(20)6-8-14/h3-10,16,18H,2,11H2,1H3/t16-,18?/m0/s1
InChIKey
PSIDRCKUCYIPND-ATNAJCNCSA-N
Compound name
(7aR)-6-(4-chlorophenyl)-3-(4-ethoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06485 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07213 189.1
[M+Na]+ 411.05407 202.9
[M+NH4]+ 406.09867 197.3
[M+K]+ 427.02801 196.4
[M-H]- 387.05757 193.6
[M+Na-2H]- 409.03952 194.2
[M]+ 388.06430 193.0
[M]- 388.06540 193.0
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.