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 185.4
[M+Na]+ 400.11239 191.1
[M-H]- 376.11589 192.5
[M+NH4]+ 395.15699 197.8
[M+K]+ 416.08633 184.1
[M+H-H2O]+ 360.12043 177.6
[M+HCOO]- 422.12137 195.8
[M+CH3COO]- 436.13702 218.1
[M+Na-2H]- 398.09784 181.7
[M]+ 377.12262 184.1
[M]- 377.12372 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.