CID 44442376

4-(4-cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole

Structural Information

Molecular Formula
C15H14N4S
SMILES
C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1
InChI
InChI=1S/C15H14N4S/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13/h5-8,10H,1-4H2,(H,17,19)
InChIKey
XAEJIFARBQJLML-UHFFFAOYSA-N
Compound name
4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

451
Patents

282.0939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.101176 171.4
[M+Na]+ 305.083118 181.2
[M-H]- 281.086624 179.6
[M+NH4]+ 300.127723 187.9
[M+K]+ 321.057058 174.7
[M+H-H2O]+ 265.091160 156.3
[M+HCOO]- 327.092101 189.0
[M+CH3COO]- 341.107751 181.6
[M+Na-2H]- 303.068566 170.8
[M]+ 282.09335142 165.6
[M]- 282.09444858 165.6
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

patents stripe