CID 6478892

Schembl7482010

Structural Information

Molecular Formula
C15H18N4OS2
SMILES
CCSCCNC1=NN=C(S1)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H18N4OS2/c1-2-21-11-10-16-14-18-19-15(22-14)17-13(20)9-8-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,18)(H,17,19,20)/b9-8+
InChIKey
JXCJWFJFBHTZFN-CMDGGOBGSA-N
Compound name
(E)-N-[5-(2-ethylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

334.0922 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09948 173.8
[M+Na]+ 357.08142 180.4
[M-H]- 333.08492 177.4
[M+NH4]+ 352.12602 186.9
[M+K]+ 373.05536 173.4
[M+H-H2O]+ 317.08946 165.3
[M+HCOO]- 379.09040 187.1
[M+CH3COO]- 393.10605 209.0
[M+Na-2H]- 355.06687 173.8
[M]+ 334.09165 176.4
[M]- 334.09275 176.4
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

patents stripe