CID 752643

618072-02-9

Structural Information

Molecular Formula
C14H17N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)NCCC2=CC=CC=C2)N
InChI
InChI=1S/C14H17N3OS2/c1-2-17-12(15)11(20-14(17)19)13(18)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H,16,18)
InChIKey
YEXFQBIQWNEFSU-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-N-(2-phenylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08858 168.0
[M+Na]+ 330.07052 176.4
[M-H]- 306.07402 173.1
[M+NH4]+ 325.11512 183.7
[M+K]+ 346.04446 169.3
[M+H-H2O]+ 290.07856 160.7
[M+HCOO]- 352.07950 181.9
[M+CH3COO]- 366.09515 206.0
[M+Na-2H]- 328.05597 166.0
[M]+ 307.08075 169.7
[M]- 307.08185 169.7
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.