CID 3244425

618071-84-4

Structural Information

Molecular Formula
C11H17N3O2S2
SMILES
CCN1C(=C(SC1=S)C(=O)NCC2CCCO2)N
InChI
InChI=1S/C11H17N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h7H,2-6,12H2,1H3,(H,13,15)
InChIKey
SZEPUGTVRSZVMX-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

287.07623 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08351 164.5
[M+Na]+ 310.06545 172.3
[M-H]- 286.06895 170.4
[M+NH4]+ 305.11005 181.5
[M+K]+ 326.03939 168.6
[M+H-H2O]+ 270.07349 158.7
[M+HCOO]- 332.07443 176.9
[M+CH3COO]- 346.09008 200.3
[M+Na-2H]- 308.05090 160.7
[M]+ 287.07568 165.4
[M]- 287.07678 165.4
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.