CID 3001999

Chembl303938

Structural Information

Molecular Formula
C11H14N4S
SMILES
CCN\1C(CS/C1=C(/C#N)\N2C=CN=C2)C
InChI
InChI=1S/C11H14N4S/c1-3-15-9(2)7-16-11(15)10(6-12)14-5-4-13-8-14/h4-5,8-9H,3,7H2,1-2H3/b11-10-
InChIKey
WMPXYQURTNULAB-KHPPLWFESA-N
Compound name
(2Z)-2-(3-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)-2-imidazol-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09392 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10120 154.5
[M+Na]+ 257.08314 164.6
[M-H]- 233.08664 156.8
[M+NH4]+ 252.12774 170.6
[M+K]+ 273.05708 161.1
[M+H-H2O]+ 217.09118 139.5
[M+HCOO]- 279.09212 165.6
[M+CH3COO]- 293.10777 164.6
[M+Na-2H]- 255.06859 151.2
[M]+ 234.09337 149.5
[M]- 234.09447 149.5
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.