CID 1307797

4-amino-n-cyclohexyl-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C18H23N3O2S2
SMILES
CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NC3CCCCC3)N
InChI
InChI=1S/C18H23N3O2S2/c1-2-23-14-10-8-13(9-11-14)21-16(19)15(25-18(21)24)17(22)20-12-6-4-3-5-7-12/h8-12H,2-7,19H2,1H3,(H,20,22)
InChIKey
IGJNPBKZSCYAAN-UHFFFAOYSA-N
Compound name
4-amino-N-cyclohexyl-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.12317 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13045 183.6
[M+Na]+ 400.11239 192.6
[M+NH4]+ 395.15699 190.8
[M+K]+ 416.08633 184.5
[M-H]- 376.11589 188.9
[M+Na-2H]- 398.09784 189.0
[M]+ 377.12262 187.0
[M]- 377.12372 187.0
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.