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]+ 378.130446 185.4
[M+Na]+ 400.112388 191.1
[M-H]- 376.115894 192.5
[M+NH4]+ 395.156993 197.8
[M+K]+ 416.086328 184.1
[M+H-H2O]+ 360.120430 177.6
[M+HCOO]- 422.121371 195.8
[M+CH3COO]- 436.137021 218.1
[M+Na-2H]- 398.097836 181.7
[M]+ 377.12262142 184.1
[M]- 377.12371858 184.1
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.