CID 2938449

4-amino-3-(4-ethoxyphenyl)-n-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolecarboxamide

Structural Information

Molecular Formula
C17H21N3O3S2
SMILES
CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3CCCO3)N
InChI
InChI=1S/C17H21N3O3S2/c1-2-22-12-7-5-11(6-8-12)20-15(18)14(25-17(20)24)16(21)19-10-13-4-3-9-23-13/h5-8,13H,2-4,9-10,18H2,1H3,(H,19,21)
InChIKey
SJAIZBBQKZMZCM-UHFFFAOYSA-N
Compound name
4-amino-3-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

379.10245 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10973 187.3
[M+Na]+ 402.09167 194.6
[M-H]- 378.09517 196.3
[M+NH4]+ 397.13627 200.5
[M+K]+ 418.06561 189.9
[M+H-H2O]+ 362.09971 180.9
[M+HCOO]- 424.10065 200.0
[M+CH3COO]- 438.11630 217.1
[M+Na-2H]- 400.07712 183.1
[M]+ 379.10190 190.0
[M]- 379.10300 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.